SCHEMBL995727

SCHEMBL995727

COC(=O)CCc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.44
F2RL1 P55085 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
IDO1 P14902 1/20 0.43
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL3539843 0.89 TSHR (0.48) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL22922181 0.86 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1LMNAMAPT
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.82 TDP1 (0.66) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL1196988 0.81 CYP4F2 (0.67) CYP4F2CYP4A11MAPTTDP1EPHX2
Methyl 3-Phenylpropanoate SCHEMBL168711 0.80 TDP1 (0.68) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL1196446 0.80 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1LMNAMAPT
Water SCHEMBL27804228 0.79 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL5084479 0.79 CA12 (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL5187860 0.78 CA12 (0.53) CYP4F2CYP4A11ALDH1A1MAPTCA12
SCHEMBL2569441 0.78 L3MBTL1 (0.55) CYP4F2CYP4A11ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574322-A Preparation method of difluoromethyl aromatic compound 南京工业大学 2020-08-25 CN claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
CN-111574322-A Preparation method of difluoromethyl aromatic compound 南京工业大学 2020-08-25 CN disclosed
CN-106661346-A UV-curable coating composition with improved solar resistance 老虎涂料有限责任及两合公司 2017-05-10 CN disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
WO-2013062138-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 WO disclosed
WO-2013027860-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-28 WO disclosed
US-4910109-A Conductive support having a hydrophilic surface; then photoconductive insulation FUJI PHOTO FILM CO., LTD. (JP) 1990-03-20 US disclosed
CN-1037337-A Substituted 2H-benzotriazole liquid mixtures CIBA GEIGY AG (CH) 1989-11-22 CN disclosed
EP-0038876-B1 2,6-DI-TERTIARY BUTYL PHENYL PENTAERYTHRITOL SPIRO BIS-PHOSPHITES ENHANCING THE STABILITY TO HEAT AND LIGHT OF SYNTHETIC RESINS, STABILIZER COMPOSITIONS COMPRISING PHENOLIC ANTIOXIDANTS AND SUCH PHOSPHITES, AND SYNTHETIC RESIN COMPOSITIONS CONTAINING THE SAME ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1984-10-10 EP disclosed
US-4469864-A MAIN ABSORPTION NEAR 600 TO 700 NANOMETERS FUJI PHOTO FILM CO., LTD. (JP) 1984-09-04 US disclosed
US-4389474-A Thiopyrylium compounds and photoconductive compositions containing said compounds FUJI PHOTO FILM CO., LTD. (JP) 1983-06-21 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS CYP4F2 541/4885CYP4A11 2074/4885ALDH1A1 1336/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CYP4F2 3449/4885CYP4A11 1751/4885ALDH1A1 4063/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CYP4F2 3449/4885CYP4A11 1751/4885ALDH1A1 4063/4885

“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.