SCHEMBL10034992

SCHEMBL10034992

CCOc1ccc(OC(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NQO1 P15559 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
PPARA Q07869 2/20 0.41
PDK2 Q15119 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL16953616 0.86 PPARD (0.47) PPARDL3MBTL1LMNAMAPTATM
SCHEMBL14534817 0.83 GPR3 (0.46) PPARDPPARAFFAR1FFAR4
SCHEMBL263354 0.81 L3MBTL1 (0.43) L3MBTL1NQO1LMNAMAPTATM
SCHEMBL16951200 0.81 L3MBTL1 (0.43) PPARDL3MBTL1NQO1LMNAMAPT
SCHEMBL16082158 0.81 SCN9A (0.45) PPARDL3MBTL1NQO1LMNAMAPT
SCHEMBL1911836 0.81 NQO1 (0.54) NQO1MAPTALDH1A1KDM4EHPGD
SCHEMBL24018251 0.81 GPR3 (0.40) PPARDL3MBTL1NQO1LMNAMAPT
SCHEMBL16952355 0.80 CA12 (0.47) PPARDL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL14237315 0.79 L3MBTL1 (0.41) PPARDL3MBTL1NQO1LMNAMAPT
SCHEMBL16959248 0.79 KDM4E (0.45) L3MBTL1NQO1LMNAMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN PPARD 581/4885L3MBTL1 3290/4885NQO1 2230/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 PPARD 2360/4885L3MBTL1 4445/4885NQO1 168/4885

“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.