SCHEMBL835929

SCHEMBL835929

COc1c(C)ccc2c1CC(Br)C2=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SOS1 Q07889 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
POLL Q9UGP5 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD2 P14416 3/20 0.32
DRD1 P21728 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 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
SCHEMBL10560209 0.74 ACHE (0.45) ACHEALDH1A1KDM4EHPGDMEN1
SCHEMBL8560121 0.73 ACHE (0.66) ACHEHTR2AHTR2CHTR2BALDH1A1
SCHEMBL836908 0.69 KDM4E (0.69) ACHEHTR2AHTR2CHTR2BSOS1
SCHEMBL837775 0.69 ACHE (0.38) ACHEHTR2AHTR2CHTR2BSOS1
SCHEMBL18264394 0.68 MAOA (0.40) ACHEALDH1A1POLL
SCHEMBL11957286 0.68 ALDH1A1 (0.57) ACHEHTR2AHTR2CHTR2BALDH1A1
SCHEMBL8559576 0.66 CES1 (0.34) HTR2AHTR2CHTR2BADRA2A
SCHEMBL4462617 0.66 METAP1 (0.58) ACHEHTR2AHTR2CHTR2BALDH1A1
SCHEMBL834190 0.66 SOS1 (0.41) ACHEHTR2AHTR2CHTR2BSOS1
SCHEMBL8098396 0.65 ACHE (0.38) ACHEALDH1A1KDM4EHPGDMEN1

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 ACHE 2902/4885HTR2A 1600/4885HTR2C 1805/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ACHE 2902/4885HTR2A 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.