SCHEMBL439997

SCHEMBL439997

O=C(Oc1ccc(O)cc1C(=O)O)c1cc(O)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA7 P43166 5/20 0.63
CA9 Q16790 5/20 0.63
CA14 Q9ULX7 5/20 0.63
PTGS2 P35354 2/20 0.63
ALOX5 P09917 1/20 0.63
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
TSHR P16473 1/20 0.48
EGFR P00533 2/20 0.46
LCK P06239 2/20 0.46
CFD P00746 2/20 0.45
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL6326585 0.89 HSD17B10 (0.73) CA12CA1CA2CA7CA9
SCHEMBL11107585 0.87 ESR1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9573599 0.82 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL343211 0.81 CA1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL9273039 0.81 ACMSD (0.68) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL8815955 0.81 KLKB1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1478993 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6930942 0.79 CA12 (0.56) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL30233582 0.79 CA1 (1.00) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL2053863 0.79 CA1 (1.00) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MUNOZ JULIO A (US) 2012-02-16 US claimed
US-20110192721-A1 SYSTEM AND METHODS FOR AUTOMATICALLY RECOGNIZING A CONTROL SOLUTION NIPRO DIAGNOSTICS, INC. (US) 2011-08-11 US claimed
WO-2011067571-A1 CO - CRYSTALS OF A TRIAZOLO [4,5 - D] PYRIMIDINE PLATELET AGGREGATION INHIBITOR ASTRAZENECA AB (SE) 2011-06-09 WO claimed
WO-2011057676-A1 A PROCESS FOR CONVERTING A SOLID (METH)ACRYLATE COPOLYMER INTO A DISPERSED FORM BY MEANS OF A DISPERSING AGENT EVONIK RÖHM GMBH (DE) 2011-05-19 WO claimed
US-7909983-B2 System and methods for automatically recognizing a control solution NIPRO DIAGNOSTICS, INC. (US) 2011-03-22 US claimed
US-9586953-B2 Prodrugs of amino quinazoline kinase inhibitor GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-03-07 US disclosed
US-20150045323-A1 PRODRUGS OF AMINO QUINAZOLINE KINASE INHIBITOR GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-12 US disclosed
US-8241760-B2 Joint structure, joining method, wiring board and method for producing the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-08-14 US disclosed
US-8163790-B2 Metronidazole cocrystals and imipramine cocrystals New Form Pharmaceuticals, Inc. (US) 2012-04-24 US disclosed
US-20120061820-A1 METHOD FOR MANUFACTURING ELECTRONIC COMPONENT, AND ELECTRONIC COMPONENT SUMITOMO BAKELITE CO., LTD. (JP) 2012-03-15 US disclosed
EP-2384103-A1 ELECTRONIC DEVICE MANUFACTURING METHOD AND ELECTRONIC DEVICE Sumitomo Bakelite Company Limited (JP) 2011-11-02 EP disclosed
US-20110262697-A1 FLEXIBLE SUBSTRATE AND ELECTRONIC DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2011-10-27 US disclosed
WO-2011057676-A1 A PROCESS FOR CONVERTING A SOLID (METH)ACRYLATE COPOLYMER INTO A DISPERSED FORM BY MEANS OF A DISPERSING AGENT EVONIK RÖHM GMBH (DE) 2011-05-19 WO disclosed
US-20110084409-A1 SEMICONDUCTOR ELEMENT MOUNTING BOARD SUMITOMO BAKELITE COMPANY LIMITED (JP) 2011-04-14 US disclosed
US-7909983-B2 System and methods for automatically recognizing a control solution NIPRO DIAGNOSTICS, INC. (US) 2011-03-22 US disclosed
EP-2296175-A1 SEMICONDUCTOR COMPONENT FABRICATION METHOD AND SEMICONDUCTOR COMPONENT Sumitomo Bakelite Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20110037174-A1 METHOD OF MANUFACTURING SEMICONDUCTOR COMPONENT, AND SEMICONDUCTOR COMPONENT SUMITOMO BAKELITE CO., LTD. (JP) 2011-02-17 US disclosed
US-20110006419-A1 FILM FOR USE IN MANUFACTURING SEMICONDUCTOR DEVICE, METHOD FOR PRODUCING SEMICONDUCTOR DEVICE AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20090264028-A1 JOINT STRUCTURE, JOINING METHOD, WIRING BOARD AND METHOD FOR PRODUCING THE SAME SUMITOMO BAKELITE COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-2068606-A1 JUNCTION STRUCTURE, METHOD OF JOINING, WIRING BOARD AND PROCESS FOR PRODUCING THE SAME Sumitomo Bakelite Company, Ltd. (JP) 2009-06-10 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-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CA12 4467/4885CA1 4681/4885CA2 4483/4885
US-20150045323-A1 PRODRUGS OF AMINO QUINAZOLINE KINASE INHIBITOR DCK, ABL1, MAP3K19 CA12 4656/4885CA1 3284/4885CA2 1987/4885

“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.