SCHEMBL7687789

SCHEMBL7687789

O=[C]Cc1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.43
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 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
SCHEMBL11480751 0.87 GABRA1 (0.36) TAAR1HPGDLMNAL3MBTL1KMT2A
SCHEMBL41139 0.79 APOBEC3G (0.60) APOBEC3GCYP4F2CYP4A11TAAR1PDCD1
SCHEMBL29366632 0.79 APOBEC3G (0.60) APOBEC3GCYP4F2CYP4A11TAAR1PDCD1
SCHEMBL96154 0.78 GABRA1 (0.45) TAAR1GAAL3MBTL1ALDH1A1
SCHEMBL6875423 0.76 DPP4 (0.46) TAAR1CYP2A6DPP4
SCHEMBL2422661 0.76 ALDH1A1 (0.47) APOBEC3GCYP4F2CYP4A11PDCD1CD274
SCHEMBL11516976 0.76 APOBEC3G (0.43) APOBEC3GCYP4F2CYP4A11TAAR1PDCD1
SCHEMBL27375302 0.76 ALDH1A1 (0.35) TAAR1HPGDALDH1A1TSHR
SCHEMBL361669 0.76 HSPA5 (0.54) TAAR1HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL954772 0.74 DPP4 (0.56) PDCD1CD274HPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists SMITHKLINE BEECHAM S.P.A. 2002-06-06 US disclosed
EP-1019377-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. Smithkline Beecham S.p.A. (IT) 2000-07-19 EP disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 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-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists TAC3, TACR2, TACR1 APOBEC3G 4386/4885CYP4F2 2899/4885CYP4A11 2528/4885

“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.