SCHEMBL212017

SCHEMBL212017

COP(=O)(OC)OCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
LPAR3 Q9UBY5 9/20 0.42
LPAR2 Q9HBW0 8/20 0.42
LPAR1 Q92633 4/20 0.42
ALDH1A1 P00352 2/20 0.34
ACHE P22303 6/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28012459 0.91 CYP3A4 (0.46) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL21204349 0.88 CYP3A4 (0.38) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL12658607 0.88 TSHR (0.43) CYP3A4LPAR3LPAR2LPAR1ACHE
SCHEMBL11849399 0.86 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL21122056 0.86 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL29759432 0.86 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL11858608 0.84 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL7634088 0.81 CYP3A4 (0.39) CYP3A4ALDH1A1ACHELMNA
SCHEMBL13224500 0.81 CYP3A4 (0.55) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL16559185 0.81 LPAR3 (0.45) LPAR3LPAR2LPAR1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CYP3A4 1936/4885LPAR3 712/4885LPAR2 810/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYP3A4 1936/4885LPAR3 712/4885LPAR2 810/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYP3A4 1936/4885LPAR3 712/4885LPAR2 810/4885

“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.