SCHEMBL736186

SCHEMBL736186

Nc1cc(C=O)c2c(c1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
ERN1 O75460 3/20 0.38
CYP2A6 P11509 1/20 0.31

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
SCHEMBL7484218 0.80 PARP1 (0.60) PARP1ERN1
SCHEMBL29952788 0.80 PARP1 (0.60) PARP1ERN1
SCHEMBL1512811 0.79 PARP1 (0.39) PARP1ERN1CYP2A6
SCHEMBL10544843 0.79 ERN1 (0.42) PARP1ERN1
SCHEMBL10602912 0.79 ERN1 (0.44) PARP1ERN1CYP2A6
SCHEMBL9846177 0.75 PARP1 (0.36) PARP1ERN1CYP2A6
SCHEMBL8551468 0.74 KCNH2 (0.35) PARP1
SCHEMBL8551471 0.74 KCNH2 (0.35) PARP1
SCHEMBL23363737 0.72 NFE2L2 (0.39) PARP1
SCHEMBL23363740 0.72 NFE2L2 (0.39) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 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-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 PARP1 4434/4885ERN1 2723/4885CYP2A6 245/4885

“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.