SCHEMBL774732

SCHEMBL774732

C=C(C)C(=O)OCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
CYP17A1 P05093 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.44
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.42
HTT P42858 2/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL254038 0.87 ALDH1A1 (0.50) KMT2APOLBALDH1A1THRBHTT
SCHEMBL7467173 0.84 THRB (0.49) CYP19A1POLBNAMPTALDH1A1THRB
SCHEMBL16125663 0.81 ALDH1A1 (0.46) KMT2APOLBALDH1A1THRBHTT
SCHEMBL13234388 0.81 ALDH1A1 (0.66) KMT2AALDH1A1HTTTDP1TSHR
SCHEMBL15944747 0.81 ALDH1A1 (0.46) KDM4EKMT2APOLBALDH1A1THRB
SCHEMBL24019226 0.81 ALDH1A1 (0.46) KMT2APOLBALDH1A1THRBHTT
SCHEMBL13234425 0.81 ALDH1A1 (0.66) KMT2AALDH1A1HTTTDP1TSHR
SCHEMBL92326 0.81 MEN1 (0.53) KDM4EKMT2APOLBALDH1A1THRB
SCHEMBL17791311 0.81 ALDH1A1 (0.46) KDM4EKMT2APOLBALDH1A1THRB
SCHEMBL13234392 0.81 ALDH1A1 (0.66) KMT2AALDH1A1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159654-A Negative photosensitive polymer composition of a thermosetting polymer precursor curable by cyclodehydration upon heating KABUSHIKI KAISHA TOSHIBA (JP) 2000-12-12 US claimed
CN-109999608-B Method for deeply removing sulfur dioxide from mixed gas 浙江大学 2020-12-15 CN disclosed
CN-109999608-A The method of sulfur dioxide is removed in depth in a kind of gaseous mixture 浙江大学 2019-07-12 CN disclosed
CN-109277228-A Substrate board treatment 株式会社科威-艾乐 2019-01-29 CN disclosed
US-9156088-B2 Au—Ag core-shell nanorod particles and method for producing same TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2015-10-13 US disclosed
US-8658735-B2 Polymerizable monomer, graft copolymer, and surface modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2014-02-25 US disclosed
US-8658735-B2 Polymerizable monomer, graft copolymer, and surface modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2014-02-25 US disclosed
US-20120244225-A1 Au-Ag Core-Shell Nanorod Particles and Method for Producing Same TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-09-27 US disclosed
US-8232329-B2 Inkjet ink TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-07-31 US disclosed
US-8232329-B2 Inkjet ink TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-07-31 US disclosed
US-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed
US-20110269905-A1 Polymerizable Monomer, Graft Copolymer, and Surface Modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-11-03 US disclosed
US-20110269905-A1 Polymerizable Monomer, Graft Copolymer, and Surface Modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-11-03 US disclosed
EP-2330138-A1 POLYMERIZABLE MONOMER, GRAFT COPOLYMER, AND SURFACE MODIFIER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2011-06-08 EP disclosed
US-20100159212-A1 Inkjet ink TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-06-24 US disclosed
US-6159654-A Negative photosensitive polymer composition of a thermosetting polymer precursor curable by cyclodehydration upon heating KABUSHIKI KAISHA TOSHIBA (JP) 2000-12-12 US disclosed
EP-0550998-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1997-11-19 EP disclosed
US-5550202-A STORAGE STABILITY; LONG LASTING HITACHI CHEMICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5356979-A Addition polymers for underwater structures HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-10-18 US disclosed
EP-0550998-A1 Coating resin and antifouling coating composition HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-07-14 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-20110269905-A1 Polymerizable Monomer, Graft Copolymer, and Surface Modifier ITGA1, CHRM1, C3AR1 CYP19A1 1383/4885CYP17A1 802/4885KDM4E 4215/4885
US-20120244225-A1 Au-Ag Core-Shell Nanorod Particles and Method for Producing Same GRB7, AUP1, AGPS CYP19A1 2642/4885CYP17A1 2179/4885KDM4E 4631/4885

“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.