SCHEMBL390464

SCHEMBL390464

Brc1ccc(OBOc2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAPT P10636 3/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LDHA P00338 1/20 0.38
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 2/20 0.36
APP P05067 1/20 0.35
LTA4H P09960 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL819491 0.78 CYP2A6 (0.42) CYP2A6MAPTCA1CA2CA9
SCHEMBL16506108 0.78 CYP2A6 (0.50) CYP2A6MAPTMAPK1MEN1RAB9A
SCHEMBL15449526 0.72 MAPK1 (0.42) CYP2A6MAPTCA1CA2CA9
SCHEMBL3843978 0.71 MAPT (0.74) CYP2A6MAPTCA1CA2CA9
SCHEMBL391385 0.71 MAPT (0.74) CYP2A6MAPTCA1CA2CA9
SCHEMBL3842527 0.71 MAPT (0.74) CYP2A6MAPTCA1CA2CA9
SCHEMBL2049674 0.71 APP (0.42) CA1CA2CA9APPLTA4H
SCHEMBL1975575 0.71 IDO1 (0.36) IDO1
SCHEMBL5878 0.71 NFE2L2 (0.39) CA1CA2CA9MEN1RAB9A
SCHEMBL98774 0.71 LMNA (0.47) CYP2A6MAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027003-A PROTAC compound, preparation method thereof and application of PROTAC compound as estrogen receptor degradation agent 山东大学 2024-05-14 CN claimed
CN-115155640-B Molybdenum catalyst, catalytic composition and application thereof in preparation of amine compounds 海南华瑞医药有限公司 2023-09-05 CN claimed
CN-110483291-B Synthesis method of (E) -beta-aryl-beta, gamma-unsaturated ester compound 安阳师范学院 2021-09-10 CN claimed
EP-3149138-A1 WATER CLUSTER-DOMINANT BORONIC ACID ALKALI SURFACTANT COMPOSITIONS AND THEIR USE The Procter & Gamble Company (US) 2017-04-05 EP claimed
US-9233967-B2 Process for the preparation of sitagliptin and intermediate compounds CIPLA LIMITED (IN) 2016-01-12 US claimed
WO-2015184209-A1 WATER CLUSTER-DOMINANT BORONIC ACID ALKALI SURFACTANT COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2015-12-03 WO claimed
US-20150344817-A1 WATER CLUSTER-DOMINANT BORONIC ACID ALKALI SURFACTANT COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY 2015-12-03 US claimed
US-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2015-07-16 US claimed
EP-2882752-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS Cipla Limited (IN) 2015-06-17 EP claimed
US-8921299-B2 Detergents having acceptable color THE PROCTER & GAMBLE COMPANY (US) 2014-12-30 US claimed
WO-2014023930-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2014-02-13 WO claimed
WO-1995005081-A1 BIOCIDAL COMPOSITIONS CONTAINING ORGANOBORON COMPOUNDS U.S. BORAX INC. (US) 1995-02-23 WO claimed
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
US-20260109708-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS DEGRADERS OF MK2 KINASE CELGENE CORP (US) 2026-04-23 US disclosed
US-20260108486-A1 SYNTHESIS OF PRO-RESOLVING ANALOGS AND COMPOSITIONS THEREFOR NOCENDRA INC. (US) 2026-04-23 US disclosed
US-20260110139-A1 CROSS-LINKED POLYVINYL ALCOHOL ADHESIVES PROCTER & GAMBLE (US) 2026-04-23 US disclosed
US-5294610-A Staphylococcus; side effect reduction MERCK & CO. INC. (US) 1994-03-15 US disclosed
EP-0583383-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID. PROCTER & GAMBLE (US) 1994-02-23 EP disclosed
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO disclosed
WO-1992019707-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID THE PROCTER & GAMBLE COMPANY (US) 1992-11-12 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 (4 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-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS DPP4, DPP7, DPP9 CYP2A6 1069/4885MAPT 1491/4885CA1 471/4885
US-20260108486-A1 SYNTHESIS OF PRO-RESOLVING ANALOGS AND COMPOSITIONS THEREFOR ALOX15B, ALOX12, ALOX15 CYP2A6 245/4885MAPT 4865/4885CA1 3732/4885
US-20260109708-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS DEGRADERS OF MK2 KINASE PSME2, MKRN3, RPS6KA2 CYP2A6 1878/4885MAPT 2763/4885CA1 3266/4885
US-20260110139-A1 CROSS-LINKED POLYVINYL ALCOHOL ADHESIVES VCL, PLOD3, ILK CYP2A6 4303/4885MAPT 1955/4885CA1 727/4885

“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.