SCHEMBL1646977

SCHEMBL1646977

COc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
G6PD P11413 1/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
RXRA P19793 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
CPS1 P31327 1/20 0.42

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
SCHEMBL18170324 0.88 MAPK1 (0.51) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL23389812 0.88 KMT2A (0.55) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL7195213 0.88 POLB (0.55) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL21995828 0.87 TAAR1 (0.42) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL28453775 0.87 GPR35 (0.41) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL30039499 0.84 GPR35 (0.42) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL2382494 0.83 CYP3A4 (0.53) POLBMAPK1KMT2AKDM4EMAPT
SCHEMBL6445568 0.82 KDM4E (0.45) POLBMAPK1KMT2AKDM4EGAA
SCHEMBL9241705 0.81 TAAR1 (0.52) POLBMAPK1HTTRAB9ATAAR1
SCHEMBL1759022 0.81 TAAR1 (0.42) MAPK1MAPTHTTRAB9ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577206-B2 Pyrazolone formyl peptide 2 receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2026-03-17 US disclosed
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 EP disclosed
EP-4523755-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2025-03-19 EP disclosed
CN-119462635-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2025-02-18 CN disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 US disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 EP disclosed
EP-4360713-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-10-30 EP disclosed
EP-4178949-B9 PYRAZOLONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2024-09-04 EP disclosed
CN-112969687-B Quinoline derivatives as a4 b 7 integrin inhibitors 吉利德科学公司 2024-08-23 CN disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
US-6149990-A Carboxylate derivatives comprising an ether group and liquid crystal composition comprising the same CHISSO CORPORATION (JP) 2000-11-21 US disclosed
EP-0884302-A1 CARBOXYLIC ESTER DERIVATIVES CONTAINING ETHER GROUP AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1998-12-16 EP disclosed
EP-0407438-B1 LATERALLY FLUORINATED 4-CYANOPHENYL AND 4'-CYANOBIPHENYL BENZOATES SECR DEFENCE BRIT (GB) 1995-01-04 EP disclosed
US-5334327-A Nematic liquid crystal display device THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTH IRELAND (GB) 1994-08-02 US disclosed
US-5156763-A Liquid crystals THE SECRETARY OF STATE FOR FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-10-20 US disclosed
EP-0407438-A1 LATERALLY FLUORINATED 4-CYANOPHENYL AND 4'-CYANOBIPHENYL BENZOATES. SECR DEFENCE BRIT (GB) 1991-01-16 EP disclosed
WO-1989008102-A1 LATERALLY FLUORINATED 4-CYANOPHENYL AND 4'-CYANOBIPHENYL BENZOATES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1989-09-08 WO disclosed
EP-0031199-B1 SUBSTITUTED BENZYL ESTERS OF CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND METHODS OF COMBATING INSECT PESTS THEREWITH, AND SUBSTITUTED BENZYL ALCOHOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-14 EP disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0031199-A1 Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 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 (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-12053462-B2 Quinoline derivatives CFTR, NQO1, IRF3 POLB 2716/4885MAPK1 521/4885KMT2A 2755/4885
US-12577206-B2 Pyrazolone formyl peptide 2 receptor agonists FPR2, FPR1, FPR3 POLB 3745/4885MAPK1 927/4885KMT2A 4664/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 POLB 2716/4885MAPK1 521/4885KMT2A 2755/4885

“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.