SCHEMBL7606483

SCHEMBL7606483

COc1cccc(C(C)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.56
CASR P41180 3/20 0.50
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL7901293 0.84 HDAC4 (0.41) AOC3ACHECA1CA2CA9
SCHEMBL29671559 0.84 AOC3 (0.49) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL12108712 0.84 AOC3 (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL30601580 0.83 HDAC4 (0.55) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL11619720 0.83 CASR (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL84440 0.83 HDAC4 (0.55) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL10290007 0.83 CASR (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL24434960 0.81 CASR (0.49) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL10446047 0.81 AOC3 (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL6204381 0.81 AOC3 (0.53) AOC3CASRACHEL3MBTL1TAAR1

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 AOC3 68/4885CASR 963/4885ACHE 1473/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 AOC3 108/4885CASR 633/4885ACHE 2217/4885

“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.