SCHEMBL1678554

SCHEMBL1678554

COc1ccc(CC#N)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
RORC P51449 1/20 0.42
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CA2 P00918 1/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.36
FOS P01100 1/20 0.36
TTR P02766 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
SCHEMBL77974 0.80 CA2 (0.61) CA2PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL10239569 0.79 THRB (0.46) THRBRORCALOX15ALOX12CA2
SCHEMBL282365 0.78 THRB (0.53) THRBRORC
SCHEMBL12370100 0.77 THRB (0.44) THRBRORCALOX15ALOX12CA2
SCHEMBL12120763 0.77 ALOX15 (0.50) THRBRORCALOX15ALOX12CA2
SCHEMBL30484233 0.77 THRB (0.58) THRBRORCALOX15ALOX12CA2
SCHEMBL6694246 0.77 THRB (0.58) THRBRORCALOX15ALOX12CA2
Ammonia Solution, Strong SCHEMBL11077793 0.77 THRB (0.44) THRBRORCALOX15ALOX12CA2
SCHEMBL6690387 0.77 THRB (0.44) THRBRORCALOX15ALOX12CA2
SCHEMBL11082043 0.77 TTR (0.50) THRBRORCALOX15ALOX12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 WO disclosed
US-4435397-A ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED NIPPON SHINYAKU CO., LTD. (JP) 1984-03-06 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA THRB 2/4885RORC 173/4885ALOX15 3296/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI THRB 183/4885RORC 461/4885ALOX15 130/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 THRB 37/4885RORC 112/4885ALOX15 1248/4885

“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.