SCHEMBL834190

SCHEMBL834190

COc1c(C)ccc2c1CC(C)(C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL12261408 0.72 ALDH1A1 (0.50) L3MBTL1ALDH1A1KDM4EACHEMEN1
SCHEMBL10624432 0.71 L3MBTL1 (0.55) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL836908 0.70 KDM4E (0.69) SOS1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11957286 0.69 ALDH1A1 (0.57) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL24169465 0.68 PARP1 (0.44) L3MBTL1ALDH1A1KDM4EHPGDMEN1
SCHEMBL836302 0.67 SOS1 (0.33) SOS1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL14430325 0.67 CES1 (0.32) L3MBTL1AR
SCHEMBL14430324 0.67 PGR (0.41) HTR2AHTR2CHTR2BL3MBTL1MEN1
SCHEMBL835929 0.66 ACHE (0.49) SOS1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL23753565 0.66 CES1 (0.37) ALDH1A1

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-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 SOS1 4032/4885HTR2A 1600/4885HTR2C 1805/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 SOS1 4032/4885HTR2A 1600/4885HTR2C 1805/4885

“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.