SCHEMBL836302

SCHEMBL836302

COc1c(C)ccc2c1CC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.33
CES1 P23141 2/20 0.33
BRD4 O60885 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD2 P14416 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL21776969 0.75 CES1 (0.37) CES1BRD4
SCHEMBL19932028 0.71 CES1 (0.39) CES1ADRA2AADRA1ADRD2
SCHEMBL19932031 0.71 MEN1 (0.37) CES1ADRA2AADRA1ADRD2HTR2A
SCHEMBL9722649 0.70 BRD4 (0.38) CES1BRD4KDM4EALDH1A1HPGD
SCHEMBL8832281 0.68 ALDH1A1 (0.42) BRD4KDM4EALDH1A1HPGD
SCHEMBL30192941 0.67 ALDH1A1 (0.45) KDM4EALDH1A1
SCHEMBL2431135 0.67 ALDH1A1 (0.45) KDM4EALDH1A1
SCHEMBL24169466 0.67 BCL2L1 (0.36) CES1
SCHEMBL834190 0.67 SOS1 (0.41) SOS1ADRA2AADRA1AHTR2AHTR2C
SCHEMBL835800 0.66 PTPRF (0.39) KDM4EALDH1A1HPGD

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 4032/4885CES1 183/4885BRD4 691/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 SOS1 4032/4885CES1 183/4885BRD4 691/4885

“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.