SCHEMBL2587903

SCHEMBL2587903

O=C(O)CCCCCCC/C=C\C#CC#Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.43
POLB P06746 2/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 4/20 0.38
ALDH1A1 P00352 7/20 0.37
F7 P08709 5/20 0.37
F3 P13726 5/20 0.37
CYP19A1 P11511 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
OXER1 Q8TDS5 2/20 0.37
KDM4E B2RXH2 2/20 0.37
FFAR1 O14842 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
PTGS1 P23219 2/20 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
SCHEMBL2591807 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL2585837 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL2591804 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL14735313 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL11894515 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL2585839 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL1047023 1.00 HMGCR (0.43) HMGCRPOLBEPHX2PPARGALDH1A1
SCHEMBL11912386 0.91 HMGCR (0.45) HMGCRPOLBEPHX2PPARGALDH1A1
Potassium Ion SCHEMBL1077457 0.88 FABP3 (0.39) HMGCRFABP3
Potassium Ion SCHEMBL1077762 0.88 FABP3 (0.39) HMGCRFABP3

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-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US claimed
EP-2563769-A1 DIYNE COMPOSITIONS EVOLVA AG (CH) 2013-03-06 EP claimed
US-20120196822-A1 Diyne Compositions EVOLVA AG (CH) 2012-08-02 US claimed
WO-2011134538-A1 DIYNE COMPOSITIONS EVOLVA LTD (CH) 2011-11-03 WO claimed
US-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US disclosed
US-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US disclosed
US-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US disclosed
EP-2563769-A1 DIYNE COMPOSITIONS EVOLVA AG (CH) 2013-03-06 EP disclosed
US-20120196822-A1 Diyne Compositions EVOLVA AG (CH) 2012-08-02 US disclosed
US-20120196822-A1 Diyne Compositions EVOLVA AG (CH) 2012-08-02 US disclosed
WO-2011134538-A1 DIYNE COMPOSITIONS EVOLVA LTD (CH) 2011-11-03 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-20120196822-A1 Diyne Compositions OSR1, ERG28, OSBPL3 HMGCR 2007/4885POLB 3706/4885EPHX2 3886/4885

“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.