SCHEMBL6283399

SCHEMBL6283399

OC(CBr)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
KDM4E B2RXH2 2/20 0.46
IGF1R P08069 2/20 0.42
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4432950 1.00 AOC3 (0.52) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL16337268 1.00 AOC3 (0.52) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21353904 0.81 AOC3 (0.44) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21353903 0.81 AOC3 (0.44) AOC3KDM4EIGF1RPTPN1HTT
SCHEMBL21393419 0.80 AOC3 (0.47) AOC3KDM4ESLC6A4SLC6A3MEN1
SCHEMBL21363635 0.80 AOC3 (0.47) AOC3KDM4EIGF1RHTTSLC6A4
SCHEMBL1155019 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL6481591 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL16340559 0.78 AOC3 (0.53) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL83311 0.78 HTR2A (0.45) IGF1RSLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
CN-114072398-B Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2024-06-11 CN disclosed
CN-114072398-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2022-02-18 CN disclosed
CN-111909138-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2020-11-10 CN disclosed
CN-104961626-B A kind of preparation method of hydroxyl bromine compounds 中国科学院化学研究所 2016-09-21 CN disclosed
CN-104961626-A Hydroxyl bromine compound preparation method CHINESE ACAD INST CHEMISTRY 2015-10-07 CN disclosed
CN-101747211-A Synthesis method of derivative of chiral Beta-amino-alcohol and part of final products thereof ASYMCHEM LIFE SCIENCE TIANJIN 2010-06-23 CN disclosed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5841001-A ALLOWING 2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL TO CONTACT ENZYME STEREOSELECTIVELY CATALYZING ESTER INTERCHANGE IN PRESENCE OF CARBOXYLIC ANHYDRIDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0792936-A2 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol Mitsubishi Chemical Corporation (JP) 1997-09-03 EP disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
EP-0065354-A1 Process for the preparation of 1,1-bis phenyl-2-haloalkan-1-ols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 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-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 AOC3 3745/4885KDM4E 42/4885IGF1R 1793/4885

“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.