SCHEMBL4896906

SCHEMBL4896906

COc1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
HPGD P15428 5/20 0.66
MAPT P10636 5/20 0.60
KDM4E B2RXH2 5/20 0.59
PKM P14618 2/20 0.59
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NQO2 P16083 2/20 0.57
NR4A2 P43354 1/20 0.57
PDE4B Q07343 3/20 0.56
RECQL P46063 1/20 0.55
PDE4D Q08499 1/20 0.55
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53

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
SCHEMBL1772679 0.87 ALDH1A1 (0.84) ALDH1A1HPGDKDM4EHSD17B10NR4A2
SCHEMBL4943612 0.84 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4EPKM
SCHEMBL28201857 0.84 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4EPKM
SCHEMBL25201972 0.83 XDH (0.67) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL242273 0.81 ALDH1A1 (0.70) ALDH1A1HPGDMAPTKDM4EPKM
SCHEMBL13485760 0.81 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4EPKM
SCHEMBL7138575 0.80 ALDH1A1 (0.65) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3741650 0.80 SLC9A1 (0.67) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL25003140 0.80 MAPT (0.57) ALDH1A1HPGDMAPTKDM4EPKM
SCHEMBL5843366 0.80 SCN10A (0.60) ALDH1A1HPGDMAPTKDM4ENR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US claimed
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
CN-112480090-B Compound containing indoline and 5-aryl furan skeleton and preparation and application thereof 浙江工业大学 2023-07-21 CN disclosed
CN-112694476-B Furan formamido beta-carboline compound and preparation method and application thereof 浙江工业大学 2022-03-18 CN disclosed
CN-112694476-A Furan formamido beta-carboline compound and preparation method and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-112480090-A Compound containing indoline and 5-aryl furan skeleton and preparation and application thereof 浙江工业大学 2021-03-12 CN disclosed
US-9540348-B2 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRYUNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2017-01-10 US disclosed
EP-2520575-B1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND GEN INC ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2016-11-30 EP disclosed
US-20160200706-A1 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2016-07-14 US disclosed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 WO disclosed
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO 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 (3 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 ALDH1A1 297/4885HPGD 242/4885MAPT 4846/4885
US-20160200706-A1 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient BRAF, ARAF, NRAS ALDH1A1 826/4885HPGD 2819/4885MAPT 2881/4885
US-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 ALDH1A1 1528/4885HPGD 1420/4885MAPT 3989/4885

“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.