SCHEMBL29639738

SCHEMBL29639738

COc1ccc(C(C)=O)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HPGD P15428 2/20 0.65
CYP3A4 P08684 1/20 0.65
MAPK1 P28482 1/20 0.65
CPS1 P31327 11/20 0.63
MAOB P27338 4/20 0.58
MAOA P21397 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL531399 1.00 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL14016072 0.87 CPS1 (0.58) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL2324673 0.85 CPS1 (0.59) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL31741591 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL5196960 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL1051747 0.85 CPS1 (0.63) ALDH1A1HPGDCPS1NPC1RAB9A
SCHEMBL28102429 0.84 CPS1 (0.57) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL72082 0.83 CPS1 (0.61) ALDH1A1HPGDCPS1NPC1RAB9A
SCHEMBL1555099 0.83 CPS1 (0.61) ALDH1A1HPGDCYP3A4MAPK1CPS1
SCHEMBL15226106 0.83 CPS1 (0.61) ALDH1A1HPGDCYP3A4MAPK1CPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734367-B Diphenyl ether chalcone tubulin inhibitor and preparation method and application thereof 贵州医科大学 2022-06-24 CN claimed
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
WO-2025137310-A1 CRYSTALLINE GPR40 AGONIST AND METHODS OF MAKING KALLYOPE, INC. (US) 2025-06-26 WO disclosed
CN-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF INNOVATION INSTITUTE FOR ARTIFICIAL INTELLIGENCE IN MEDICINE OF ZHEJIANG UNIVERSITY (CN) 2025-03-27 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-115677772-B Compound and composition for EGFR kinase inhibitor and application thereof 浙江大学智能创新药物研究院 2023-08-18 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed
CN-116348468-A CFTR modulator compounds, compositions and uses thereof 日东制药株式会社 2023-06-27 CN disclosed
CN-110734367-B Diphenyl ether chalcone tubulin inhibitor and preparation method and application thereof 贵州医科大学 2022-06-24 CN disclosed
CN-110734367-B Diphenyl ether chalcone tubulin inhibitor and preparation method and application thereof 贵州医科大学 2022-06-24 CN disclosed
CN-114502659-A Resin composition, resin sheet, cured film, method for producing cured film, semiconductor device, organic EL display device, and display device 东丽株式会社 2022-05-13 CN 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-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2593/4885HPGD 4344/4885CYP3A4 1197/4885

“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.