SCHEMBL14908341

SCHEMBL14908341

Nc1ccc(O)c(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.41
KAT2B Q92831 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
IDO1 P14902 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
ALOX15 P16050 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRA1B P35368 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL572491 0.81 EP300 (0.42) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL932188 0.79 ALDH1A1 (0.39) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL27596573 0.75 CYP3A4 (0.31) ALOX15HSD17B10CYP3A4ALDH1A1
SCHEMBL4843937 0.75 ALOX15 (0.43) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL5412734 0.75 ALDH1A1 (0.43) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL24726549 0.75 ALDH1A1 (0.38) ALOX15HSD17B10CYP3A4TSHRALDH1A1
SCHEMBL5512090 0.75 EP300 (0.43) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL19405866 0.75 KDM1A (0.35) ALOX15HSD17B10CYP3A4ALDH1A1MEN1
SCHEMBL27374187 0.75 CA1 (0.43) ALOX15HSD17B10CYP3A4TSHRALDH1A1
SCHEMBL31256663 0.75 EP300 (0.46) EP300KAT2BKAT8IDO1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
WO-2013061962-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2013-05-02 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 (1 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 EP300 59/4885KAT2B 200/4885KAT8 145/4885

“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.