SCHEMBL820400

SCHEMBL820400

CC(C)(C)c1cccc([O])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.52
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
ACHE P22303 3/20 0.47
KIF11 P52732 3/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL129151 0.81 HDAC8 (0.56) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL9577058 0.79 ESR1 (0.50) ALDH1A1ALOX15CYP3A4CYP2C19MAPT
Water SCHEMBL29289408 0.78 HDAC8 (0.54) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL9577008 0.76 SHBG (0.44) HDAC8HDAC4HDAC2ACHEALDH1A1
SCHEMBL7193715 0.75 TSHR (0.48) CYP3A4
SCHEMBL66448 0.75 TSHR (0.54) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL5547288 0.74 KIF11 (0.72) HDAC8HDAC4HDAC2ACHEKIF11
Nitrogen SCHEMBL28547462 0.74 HDAC8 (0.50) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL30023786 0.74 KIF11 (0.72) HDAC8HDAC4HDAC2ACHEKIF11
Methoxymethane SCHEMBL28022475 0.74 HDAC8 (0.50) HDAC8HDAC4HDAC2ACHEKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS PFIZER INC. 2010-05-27 US claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
EP-1856060-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS Pfizer Products Inc. (US) 2007-11-21 EP claimed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP claimed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
WO-2006090250-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-08-31 WO claimed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US claimed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 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
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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 (5 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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP HDAC8 3254/4885HDAC4 3224/4885HDAC2 2686/4885
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS APOB, LDLR, HDLBP HDAC8 2784/4885HDAC4 3096/4885HDAC2 1928/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI HDAC8 3117/4885HDAC4 3174/4885HDAC2 2300/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 HDAC8 2152/4885HDAC4 1045/4885HDAC2 775/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 HDAC8 2165/4885HDAC4 1067/4885HDAC2 783/4885

“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.