SCHEMBL833885

SCHEMBL833885

COc1ccc(OC)c2c1CCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.59
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACHE P22303 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL10969055 0.94 ADRA1A (0.59) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL2722920 0.91 ADRA1A (0.52) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL15586581 0.87 ADRA1A (0.49) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL13274500 0.87 KDM4E (0.53) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL31741626 0.87 ADRA1A (0.49) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL835276 0.87 ADRA1A (0.49) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL19337381 0.87 ADRA1A (0.53) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL13274485 0.83 ALDH1A1 (0.50) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL6169404 0.82 KDM4E (0.53) ADRA1AALDH1A1KDM4EHPGDGLA
SCHEMBL7327510 0.82 ADRA1A (0.49) ADRA1AALDH1A1KDM4EHPGDGLA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101772487-B Thyroid compounds TORRENT PHARMACEUTICALS LTD 2014-01-22 CN disclosed
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
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
EP-0190740-B1 USE OF SUBSTITUTED QUINONE ELECTRON TRANSFER AGENTS IN ANALYTICAL DETERMINATIONS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-11-27 EP disclosed
US-4746607-A MEDICAL DIAGNOSIS, DETECTION OF BACTERIA EASTMAN KODAK COMPANY (US) 1988-05-24 US disclosed
EP-0190740-A2 Use of substituted quinone electron transfer agents in analytical determinations EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-08-13 EP 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 ADRA1A 173/4885ALDH1A1 1664/4885KDM4E 3112/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ADRA1A 173/4885ALDH1A1 1664/4885KDM4E 3112/4885

“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.