SCHEMBL5639335

SCHEMBL5639335

O=CNC1CCCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.43
▸ ADH1A P07327 4/20 0.43
▸ ADH1C P00326 3/20 0.43
▸ ADH7 P40394 2/20 0.43
▸ ADH4 P08319 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ PEPD P12955 1/20 0.34

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
SCHEMBL8018292 1.00 ADH1B (0.43) ADH1BADH1AADH1CADH7ADH4
SCHEMBL20054268 0.82 ADH1B (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL5635945 0.79 TAS1R3 (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL5639285 0.79 GRM4 (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL5637911 0.77 CNR2 (0.42) ADH1BADH1AADH1CADH7ADH4
SCHEMBL798471 0.77 ADH1A (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL15314039 0.77 ADH1A (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL18125950 0.76 MEN1 (0.43) ALDH1A1LMNAKDM4EMEN1BLM
SCHEMBL11302521 0.76 MEN1 (0.43) ALDH1A1LMNAKDM4EMEN1BLM
SCHEMBL22757029 0.75 PSEN1 (0.40) ADH1BADH1AADH1CADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886217-A Process for producing cyclohexanedicarboxylic acids, dicyanocyclohexanes, and bis (aminomethyl) cyclohexanes 三菱瓦斯化学株式会社 2020-11-03 — — CN disclosed
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 — — EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 — — WO disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 — — US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 — — 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 ADH1B 1924/4885ADH1A 910/4885ADH1C 764/4885

“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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