SCHEMBL835800

SCHEMBL835800

COc1c(C)cc(C=O)c2c1CC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PRKDC P78527 1/20 0.32
TRIM24 O15164 1/20 0.30
TYR P14679 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL834457 0.78 MEN1 (0.50) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL13894661 0.71 ALDH1A1 (0.43) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL27297143 0.70 ALDH1A1 (0.42) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL24136726 0.70 ALDH1A1 (0.42) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL11928779 0.68 ALDH1A1 (0.41) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL836589 0.68 MEN1 (0.38) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL10890008 0.68 MEN1 (0.38) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL25342401 0.67 PRKDC (0.40) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL27581741 0.67 ALDH1A1 (0.39) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL7522554 0.66 ERN1 (0.52) MEN1KMT2AMCL1ALDH1A1KDM4E

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 PTPRF 1158/4885MEN1 541/4885KMT2A 3000/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 PTPRF 1158/4885MEN1 541/4885KMT2A 3000/4885

“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.