SCHEMBL2817952

SCHEMBL2817952

O=Cc1ccccc1OCOC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.47
SRC P12931 2/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
GSK3B P49841 1/20 0.39
RAD52 P43351 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4556262 0.98 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL7358840 0.79 MAPT (0.50) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL30972130 0.79 ALDH1A1 (0.79) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1276592 0.79 ALDH1A1 (0.79) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5302703 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4555928 0.78 SRC (0.57) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL635622 0.77 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL11779563 0.77 SRC (0.49) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL31092856 0.76 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL29343997 0.76 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
EP-2229388-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-09-22 EP disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 WO disclosed
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed
EP-1824854-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-29 EP disclosed
WO-2006058869-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
EP-0766676-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-07-08 EP disclosed
EP-0766676-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-04-09 EP disclosed
WO-1996000218-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-01-04 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 (1 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 ALDH1A1 4233/4885HPGD 1055/4885HTT 3087/4885

“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.