SCHEMBL13386609

SCHEMBL13386609

CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O[C@H](C)C(=O)OCC)C[C@H]2C[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.74
PTGIR P43119 2/20 0.74
PTGER2 P43116 2/20 0.74
PTGER1 P34995 1/20 0.74
PTGDR Q13258 1/20 0.74
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.35
TBXA2R P21731 9/20 0.34
PTGER4 P35408 2/20 0.34
PTGFR P43088 2/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL13386611 1.00 PTGER3 (0.74) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13386606 1.00 PTGER3 (0.74) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13386610 1.00 PTGER3 (0.74) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL10345587 0.93 PTGIR (0.80) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL10636092 0.93 PTGIR (0.80) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13554236 0.91 PTGIR (0.77) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL12951593 0.90 PTGER3 (0.58) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13554972 0.90 PTGER3 (0.58) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13554227 0.90 PTGIR (0.77) PTGER3PTGIRPTGER2PTGER1PTGDR
SCHEMBL13386552 0.89 PTGIR (0.79) PTGER3PTGIRPTGER2PTGER1PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270934-A1 PROSTACYCLIN DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2012-10-25 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 (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-20120270934-A1 PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGER1 PTGER3 7/4885PTGIR 2/4885PTGER2 8/4885

“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.