SCHEMBL836908

SCHEMBL836908

COc1c(C)ccc2c1CCC2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 2/20 0.69
GAA P10253 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GLA P06280 1/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL11957286 0.91 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL31674038 0.81 KDM4E (0.69) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL354324 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL23260195 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGAAHTR2A
SCHEMBL7118732 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL25171514 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9527144 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL23783146 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL13923766 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL16558785 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDGAAGLA

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 8 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
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 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 (3 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885HPGD 2227/4885
US-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 KDM4E 3112/4885ALDH1A1 1664/4885HPGD 4251/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 KDM4E 3112/4885ALDH1A1 1664/4885HPGD 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.