SCHEMBL18613121

SCHEMBL18613121

COc1cccc(OC)c1-c1c2nc(c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4ccc([N+](C)(C)C)cc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TERT O14746 4/20 0.44
▸ TOP1 P11387 4/20 0.43
▸ CYCS P99999 4/20 0.42
▸ ENPP2 Q13822 1/20 0.41

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
SCHEMBL17251727 0.96 TOP1 (0.43) ABCG2TERTTOP1CYCSENPP2
SCHEMBL479431 0.85 TERT (0.49) ABCG2TERTTOP1CYCSENPP2
SCHEMBL5016668 0.85 TERT (0.49) ABCG2TERTTOP1CYCSENPP2
SCHEMBL5011964 0.85 TERT (0.49) ABCG2TERTTOP1CYCSENPP2
SCHEMBL9581910 0.85 TERT (0.45) ABCG2TERTTOP1CYCSENPP2
SCHEMBL29408466 0.85 TERT (0.45) ABCG2TERTTOP1CYCSENPP2
SCHEMBL266547 0.85 TERT (0.57) ABCG2TERTTOP1CYCSENPP2
SCHEMBL17251752 0.84 TOP1 (0.41) ABCG2TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL3287053 0.84 TERT (0.55) ABCG2TERTTOP1CYCSENPP2
SCHEMBL29196451 0.84 TERT (0.55) ABCG2TERTTOP1CYCSENPP2

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-20170067168-A1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-03-09 — — 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-20170067168-A1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CYC1, MT-CO2, MT-CO1 ABCG2 4362/4885TERT 738/4885TOP1 1138/4885

“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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