SCHEMBL640263

SCHEMBL640263

CC(=O)Oc1ccc(C(=O)O)cc1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 3/20 1.00
RAB9A P51151 2/20 1.00
GAA P10253 1/20 1.00
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
TPMT P51580 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
PKM P14618 1/20 0.59
TOP1 P11387 2/20 0.58
CFD P00746 2/20 0.55
HSD17B10 Q99714 3/20 0.52
HTT P42858 2/20 0.52
TTR P02766 2/20 0.50

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
SCHEMBL30154503 1.00 TSHR (1.00) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL10541988 0.98 TSHR (0.96) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9489796 0.98 TSHR (0.96) TSHRALDH1A1KDM4ERAB9AGAA
Hydrochloric Acid SCHEMBL9650466 0.98 TSHR (0.96) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL1560808 0.91 TSHR (0.87) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL111732 0.91 TSHR (1.00) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL10349690 0.86 TSHR (0.75) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL3946244 0.86 TSHR (0.73) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL6550416 0.86 TSHR (0.75) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9473174 0.85 TSHR (0.73) TSHRALDH1A1KDM4ERAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893555-B1 POLYPHENOL-BASED BIOPRECURSOR RHODIA CHIMIE SA (FR) 2014-10-29 EP claimed
CN-1090756-A Multipurpose skin-care article XINHUA INDUSTRY AND TRADE CO L (CN) 1994-08-17 CN claimed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
EP-3345910-B1 COMPOUND HAVING EFFECT OF INHIBITING PLATELET AGGREGATION AND SALT THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING THROMBOTIC DISEASES, CONTAINING SAME SHIN POONG PHARMACEUTICAL CO LTD (KR) 2023-11-01 EP disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
CN-111909051-B N- [ 4-phenyl-3- (benzoylamino) -1, 1-trifluoro-butyl-2-yl ] -phenylalaninol derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-12-27 CN disclosed
WO-2022255845-A1 NOVEL ERGOSTENOL DERIVATIVE AND USE THEREOF 에스티팜 주식회사 2022-12-08 WO disclosed
US-11414435-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-08-16 US disclosed
CN-108602837-B Compound having platelet aggregation inhibitory effect, salt thereof, and composition for preventing or treating thrombotic diseases comprising same 新丰制药株式会社 2022-02-11 CN disclosed
CN-111909051-A N- [ 4-phenyl-3- (benzoylamino) -1,1, 1-trifluoro-butyl-2-yl ] -phenylalaninol derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2020-11-10 CN disclosed
US-20200317698-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
EP-0178527-A2 Cephalosporin compounds and process for their preparation Kaken Pharmaceutical Co., Ltd. (JP) 1986-04-23 EP disclosed
EP-0177596-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1986-04-16 EP disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP disclosed
WO-1985004878-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP P.L.C. (GB) 1985-11-07 WO disclosed
US-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US disclosed
EP-0115820-A2 Cephalosporin derivatives and process for their preparation Kaken Pharmaceutical Co., Ltd. (JP) 1984-08-15 EP disclosed
EP-0082501-A1 Beta-lactam compound and a pharmaceutical composition containing the same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-06-29 EP disclosed
EP-0075805-A1 Beta-lactam compound and a pharmaceutical composition containing the same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-04-06 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 (2 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-20200317698-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885ALDH1A1 305/4885KDM4E 720/4885
US-11414435-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TSHR 4759/4885ALDH1A1 305/4885KDM4E 720/4885

“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.