SCHEMBL834457

SCHEMBL834457

COc1c(C)cc(C=O)c2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ERN1 O75460 3/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B3 P37058 1/20 0.35
BRD4 O60885 1/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL11624509 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL836902 0.83 MEN1 (0.48) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL835754 0.83 MEN1 (0.48) MEN1KMT2AMCL1ALDH1A1SMN1; SMN2
SCHEMBL835800 0.78 PTPRF (0.39) MEN1KMT2AMCL1ALDH1A1SMN1; SMN2
SCHEMBL21367478 0.78 KMT2A (0.44) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL11629474 0.78 LMNA (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL5665974 0.77 MEN1 (0.43) MEN1KMT2AMCL1ALDH1A1KDM4E
SCHEMBL833766 0.77 MEN1 (0.40) MEN1KMT2AMCL1ALDH1A1SMN1; SMN2
SCHEMBL836048 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1ERN1CYP1A2
SCHEMBL6621600 0.75 THRA (0.38) MEN1KMT2ACA1CA2ERN1

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 MEN1 541/4885KMT2A 3000/4885MCL1 4172/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885MCL1 4172/4885

“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.