SCHEMBL13386622

SCHEMBL13386622

CC#CCC(C)[C@H](O)C=C[C@@H]1[C@H]2CC(=CCCCC(=O)OC(C)c3ccccc3)C[C@H]2C[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 2/20 0.74
▸ PTGER1 P34995 1/20 0.74
▸ PTGER3 P43115 1/20 0.74
▸ PTGER2 P43116 1/20 0.74
▸ PTGDR Q13258 1/20 0.74
▸ PPARG P37231 1/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TBXA2R P21731 12/20 0.41
▸ ABCC4 O15439 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13386618 1.00 PTGIR (0.74) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13386621 1.00 PTGIR (0.74) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13386623 1.00 PTGIR (0.74) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL12951592 0.94 PTGIR (0.74) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13555005 0.94 PTGIR (0.74) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13554230 0.92 PTGIR (0.71) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13386529 0.90 PTGIR (0.68) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13386531 0.90 PTGIR (0.68) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL13386532 0.90 PTGIR (0.68) PTGIRPTGER1PTGER3PTGER2PTGDR
SCHEMBL12951594 0.90 PTGIR (0.68) PTGIRPTGER1PTGER3PTGER2PTGDR

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 PTGIR 2/4885PTGER1 3/4885PTGER3 7/4885

“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.

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