SCHEMBL7304831

SCHEMBL7304831

COc1ccc2c(c1)CC(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
METAP1 P53582 2/20 0.45
MTNR1A P48039 3/20 0.45
PPIB P23284 1/20 0.43
APP P05067 1/20 0.42
ALOX5 P09917 1/20 0.42
MAOB P27338 4/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL428306 0.87 DRD2 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3814082 0.84 MAPT (0.47) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4055987 0.81 NPC1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10963283 0.78 MAOB (0.52) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11926931 0.77 MMP12 (0.49) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL31020334 0.76 ALDH1A1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9834403 0.76 KDM4E (0.34) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5369640 0.76 MAOA (0.56) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9786951 0.76 CYP3A4 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL30396392 0.74 DRD2 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
EP-0817767-B1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-05-24 EP disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
EP-0817767-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
WO-1996031512-A1 BENZOPYRANOPYRROLE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4801605-A ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
EP-0280269-A1 3-Amino-dihydro-[1]-benzopyrans and benzothiopyrans CIBA-GEIGY AG (CH) 1988-08-31 EP disclosed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 US disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 MAPT 2737/4885ALDH1A1 2949/4885KDM4E 2070/4885

“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.