SCHEMBL6774703

SCHEMBL6774703

FC(F)(F)CCCCO[N]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC2 Q92769 4/20 0.35
▸ KCNA3 P22001 1/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ PPARA Q07869 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL22809685 0.73 KCNA3 (0.67) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL3183185 0.69 TAAR1 (0.46) —
SCHEMBL6001526 0.69 LMNA (0.39) PPARA
SCHEMBL24096333 0.68 L3MBTL1 (0.50) MMP2MMP9MMP8MMP13
SCHEMBL6774707 0.68 MAPT (0.36) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL28566982 0.68 L3MBTL1 (0.50) MMP2MMP9MMP8MMP13
SCHEMBL28193581 0.67 KCNA3 (0.62) HDAC1HDAC2KCNA3HDAC3HDAC4
Hydrogen Sulfide SCHEMBL28331912 0.67 L3MBTL1 (0.49) MMP2MMP9MMP8MMP13
SCHEMBL23644552 0.66 CYP1A2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL9192045 0.65 MAOA (0.52) MMP2MMP9MMP8MMP13MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 — — US disclosed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 — — US disclosed
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 disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MMP2 1671/4885MMP9 2765/4885MMP8 2164/4885

“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.

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