SCHEMBL2994444

SCHEMBL2994444

CCOC(=O)c1ccc(C(=O)OCC)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
ESR1 P03372 2/20 0.53
ESR2 Q92731 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
HCRTR1 O43613 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1175094 0.90 HRH3 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8023880 0.90 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7592360 0.87 ESR1 (0.60) ESR1TSHRLMNACYP1A2CYP3A4
SCHEMBL277473 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL22468902 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30294421 0.84 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL22852761 0.84 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL5273471 0.84 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL670944 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30349688 0.84 CA12 (0.59) 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407770-B2 Amphiphobic porous materials UNIVERSITY OF SOUTH FLORIDA (US) 2022-08-09 US disclosed
US-20190345171-A1 AMPHIPHOBIC POROUS MATERIALS NATIONAL SCIENCE FOUNDATION 2019-11-14 US disclosed
EP-3565803-A1 AMPHIPHOBIC POROUS MATERIALS University of South Florida (US) 2019-11-13 EP disclosed
WO-2018129406-A1 AMPHIPHOBIC POROUS MATERIALS UNIVERSITY OF SOUTH FLORIDA (US) 2018-07-12 WO disclosed
CN-104245786-A Conjugated polymers MERCK PATENT GMBH 2014-12-24 CN disclosed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
WO-2001019780-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
CN-1244855-A Polymerizable biaryls, method for the production and use thereof HOECHST RES & TECH GMBH & CO (DE) 2000-02-16 CN disclosed
CN-1244206-A Aryl-substituted poly (p-arylene-vinylenes), method for the production thereof and use thereof in electroluminescent elements AWENTIS RESEARCH AND TECHNOLOG (DE) 2000-02-09 CN disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 CA12 4274/4885CA1 4797/4885CA2 4212/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CA12 1661/4885CA1 3885/4885CA2 807/4885
US-11407770-B2 Amphiphobic porous materials FABP4, ABHD16A, AQP4 CA12 1262/4885CA1 791/4885CA2 2274/4885
US-20190345171-A1 AMPHIPHOBIC POROUS MATERIALS FABP4, ABHD16A, AQP4 CA12 1262/4885CA1 791/4885CA2 2274/4885

“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.