SCHEMBL1678604

SCHEMBL1678604

Cc1ccc(C(F)(F)F)c(O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 9/20 0.35
KIF11 P52732 1/20 0.34
PADI4 Q9UM07 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL311508 0.83 GABRA1 (0.47) CYP3A4MAPTERN1PADI4
SCHEMBL3966986 0.78 CYP3A4 (0.42) ARCYP3A4MAPTERN1KIF11
SCHEMBL29397237 0.78 CYP3A4 (0.42) ARCYP3A4MAPTERN1KIF11
SCHEMBL14553808 0.76 GABRA1 (0.40) ARKIF11
SCHEMBL29957571 0.75 ERN1 (0.48) ARCYP3A4MAPTERN1PADI4
SCHEMBL1678780 0.75 ERN1 (0.48) ARCYP3A4MAPTERN1PADI4
SCHEMBL4650198 0.74 CYP3A4 (0.44) CYP3A4MAPTERN1PADI4
SCHEMBL8111349 0.73 ALDH1A1 (0.39) ARCYP3A4NFKB1
SCHEMBL14553803 0.72 KIF11 (0.37) KIF11
SCHEMBL4580995 0.72 ERN1 (0.45) CYP3A4MAPTERN1PADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
CN-101119747-A Tissue factor production inhibitor SANKYO CO (JP) 2008-02-06 CN disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI AR 625/4885CYP3A4 3582/4885MAPT 1662/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 AR 97/4885CYP3A4 233/4885MAPT 4196/4885

“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.