SCHEMBL8468255

SCHEMBL8468255

COC(=O)C1(CCC(C)=O)CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP3A4 P08684 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TACR1 P25103 1/20 0.30
TACR3 P29371 1/20 0.30

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
SCHEMBL10940755 0.85 CYP2C19 (0.39) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL7626939 0.84 CYP2C19 (0.36) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL5406587 0.84 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL8859121 0.82 PTPN1 (0.31) MAPTTSHRCYP2C9
SCHEMBL4349604 0.82 CYP2C19 (0.34) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL17779666 0.81 CYP2C19 (0.36) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL14338624 0.80 ABHD6 (0.30)
SCHEMBL1417675 0.80 CYP4F2 (0.37) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL4811675 0.80 MAPT (0.41) CYP2C19MAPTTSHRCYP2C9KDM4E
SCHEMBL14799327 0.80 CYP2C19 (0.33) CYP2C19MAPTTSHRCYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459003-B Pyrazole amide derivatives 帝人制药株式会社 2019-06-21 CN disclosed
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
CN-106459003-A Pyrazole amide derivatives 帝人制药株式会社 2017-02-22 CN disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2016168450-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-10-20 WO disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
US-5973080-A MODIFIED DIVINYLBENZENE-STYRENE COPOLYMER ELF AQUITAINE PRODUCTION (FR) 1999-10-26 US disclosed
US-5817716-A MODIFIED DIVINYLBENZENE-STYRENE COPOLYMER ELF AQUITAINE PRODUCTION (FR) 1998-10-06 US disclosed
US-5726253-A REACTING DIVINYLBENZENE-STYRENE RESIN WITH CHLOROFORMAMIDINIUM CHLORIDE IN BASE ELF AQUITAINE PRODUCTION (FR) 1998-03-10 US 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 (3 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-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS ACOX3, ACOT7, ACOX1 CYP2C19 2668/4885MAPT 4660/4885TSHR 807/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CYP2C19 996/4885MAPT 3584/4885TSHR 873/4885
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis ACOX3, ACOT7, ACOX1 CYP2C19 2684/4885MAPT 4657/4885TSHR 814/4885

“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.