SCHEMBL3915689

SCHEMBL3915689

COC(=O)c1cc(C)c(F)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOTUM Q6P988 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 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
SCHEMBL8069830 0.91 CA12 (0.54) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL21712059 0.81 KDM4E (0.52) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL18969524 0.81 KMT2A (0.51) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL3910546 0.81 ALDH1A1 (0.47) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL16049887 0.81 NOTUM (0.47) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL17531306 0.81 MAPT (0.46) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL24425750 0.80 KMT2A (0.54) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL402146 0.80 KDM4E (0.55) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL11519523 0.80 CYP3A4 (0.50) CNR2MAPTKDM4EALDH1A1CA12
SCHEMBL2114318 0.79 KMT2A (0.61) CNR2MAPTKDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970120-B1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LTD (CN) 2018-09-12 EP disclosed
WO-2018072707-A1 AROMATIC ETHER DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 保诺科技(北京)有限公司 2018-04-26 WO disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-9701680-B2 Pyrimidine and pyridine compounds and their usage HUTCHISON MEDIPHARMA LIMITED (CN) 2017-07-11 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2016-02-25 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-01-28 US disclosed
EP-2970120-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE Hutchison Medipharma Limited (CN) 2016-01-20 EP disclosed
WO-2014139465-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139465-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 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 (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-20160052926-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF FGFR3, FGFR1, FGFR4 CNR2 579/4885MAPT 2978/4885KDM4E 1569/4885
US-20160024021-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE FGFR3, FGFR1, FGFR4 CNR2 651/4885MAPT 2844/4885KDM4E 1548/4885

“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.