SCHEMBL13693179

SCHEMBL13693179

COc1ccccc1Cn1nc(C(=O)O)cc1C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.71
CYP1A2 P05177 1/20 0.57
MEN1 O00255 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL24797862 0.86 PTGER1 (0.59) PTGER1CYP1A2MEN1PKMKMT2A
SCHEMBL4683754 0.85 PTGER1 (0.78) PTGER1CYP1A2
SCHEMBL14289931 0.85 P2RY14 (0.60) PTGER1CYP1A2
SCHEMBL4681006 0.84 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL13693106 0.83 PTGER1 (0.57) PTGER1CYP1A2
SCHEMBL4679553 0.82 PTGER1 (0.84) PTGER1CYP1A2
SCHEMBL4683338 0.81 PTGER1 (0.78) PTGER1CYP1A2
SCHEMBL15964698 0.81 P2RY14 (0.63) PTGER1CYP1A2
SCHEMBL29831330 0.81 P2RY14 (0.63) PTGER1CYP1A2
SCHEMBL4680919 0.81 PTGER1 (0.78) PTGER1CYP1A2

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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR PTGER1 1/4885CYP1A2 150/4885MEN1 3015/4885

“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.