SCHEMBL637756

SCHEMBL637756

CC(C)CCOCOc1ccccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
RAD52 P43351 1/20 0.40
LMNA P02545 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1852272 0.89 ALDH1A1 (0.69) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL29378504 0.84 ALDH1A1 (0.67) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL3235018 0.81 ALDH1A1 (0.62) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL12749651 0.79 ALDH1A1 (0.63) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL28533324 0.79 ALDH1A1 (0.59) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL30972130 0.78 ALDH1A1 (0.79) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL1276592 0.78 ALDH1A1 (0.79) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL271619 0.77 ALDH1A1 (0.66) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL10573482 0.76 ALDH1A1 (0.65) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL6914412 0.76 ALDH1A1 (1.00) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
EP-2283017-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2011-02-16 EP disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US disclosed
WO-2009130560-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-10-29 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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885HTT 1988/4885HPGD 540/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885HTT 1988/4885HPGD 540/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ALDH1A1 3118/4885HTT 1988/4885HPGD 540/4885

“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.