SCHEMBL836196

SCHEMBL836196

COc1c(Cc2ccc(C)cc2)ccc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A2 P31639 5/20 0.35
SLC5A1 P13866 4/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
RXRG P48443 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10359950 0.76 MEN1 (0.37) MAOBSMN1; SMN2RXRARXRBDRD3
SCHEMBL833766 0.75 MEN1 (0.40) MAOAMAOBHPGDSMN1; SMN2SLC5A2
SCHEMBL19932031 0.73 MEN1 (0.37) MAOASMN1; SMN2DRD2MEN1KMT2A
SCHEMBL19932028 0.73 CES1 (0.39) MAOBDRD2MEN1KMT2A
SCHEMBL11626560 0.69 ALDH1A1 (0.49) HPGDDRD3DRD2MEN1KMT2A
SCHEMBL8960045 0.69 KDM4E (0.49) MAOBHPGDDRD3DRD2MEN1
SCHEMBL9370660 0.69 RXRA (0.44) RXRARXRBRXRG
SCHEMBL23260194 0.67 PNMT (0.40) MAOASMN1; SMN2DRD3DRD2MEN1
SCHEMBL5770327 0.67 MEN1 (0.40) DRD2MEN1KMT2A
SCHEMBL19927319 0.67 PARP1 (0.40) MAOAMEN1KMT2A

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 MAOA 2361/4885MAOB 1441/4885HPGD 4251/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MAOA 2361/4885MAOB 1441/4885HPGD 4251/4885

“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.