SCHEMBL5842824

SCHEMBL5842824

CCC(C)c1ccc([O])c(OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.33
RORC P51449 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10182749 0.84 ALDH1A1 (0.43) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL15219451 0.84 ALDH1A1 (0.43) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL16379411 0.80 ALDH1A1 (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL16379412 0.79 ALDH1A1 (0.50) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13918205 0.79 PDE2A (0.46) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10148388 0.79 ALDH1A1 (0.39) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL12807833 0.76 ALDH1A1 (0.37) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL9610701 0.73 ABCB11 (0.49) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL93073 0.73 ALDH1A1 (0.50) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10148454 0.71 HDAC4 (0.46) ALDH1A1GAAUSP2PKMHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723752-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-04-20 US claimed
US-6696472-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-02-24 US claimed
US-6683113-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 US claimed
US-6683099-B2 FOR THERAPY OF ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 US claimed
US-6677380-B2 ANTILIPEMIC AGENTS SUCH AS 3(3-(4-CHLORO-3-ETHYL-PHENOXY)-PHENYL)((3-(1,1,2,2 -TETRAFLUOROETHOXY)PHENYL)METHYL))AMINO)-1,1,1-TRIFLURO-2-PROPANTHIOL, USED FOR PROPHLAXIS OF CARDIOVASCULAR DISORDERS AND ATHEROSCLEROSIS PHARMACIA CORPORATION 2004-01-13 US claimed
US-6677379-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATMENT OF CORONARY ARTERY DISEASE PHARMACIA CORPORATION 2004-01-13 US claimed
US-6677375-B2 TREATING CARDIOVASCULAR DISEASES PHARMACIA CORPORATION 2004-01-13 US claimed
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-12-04 US claimed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-03-13 US claimed
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 US claimed
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-06 US claimed
US-6476057-B1 ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS; CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-11-05 US claimed
US-6476075-B1 Use of substituted N, N-bis-benzyl aminoalcohol compounds inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-11-05 US claimed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 US claimed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US claimed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885GAA 1957/4885USP2 2413/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP ALDH1A1 2536/4885GAA 2932/4885USP2 1878/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885GAA 1957/4885USP2 2413/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP ALDH1A1 3571/4885GAA 3883/4885USP2 2054/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885GAA 1957/4885USP2 2413/4885
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, MTTP ALDH1A1 2516/4885GAA 2879/4885USP2 2183/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI ALDH1A1 2895/4885GAA 2283/4885USP2 2972/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885GAA 1957/4885USP2 2413/4885
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP ALDH1A1 2772/4885GAA 3241/4885USP2 2275/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.