SCHEMBL18613154

SCHEMBL18613154

COc1cc([N+](C)(C)C)cc(OC)c1-c1c2nc(c(-c3c(OC)cc([N+](C)(C)C)cc3OC)c3ccc([nH]3)c(-c3c(OC)cc([N+](C)(C)C)cc3OC)c3nc(c(-c4c(OC)cc([N+](C)(C)C)cc4OC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TOP1 P11387 2/20 0.36
▸ CYCS P99999 3/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL18593564 0.92 ABCG2 (0.37) TERTABCG2TOP1CYCSENPP2
SCHEMBL479253 0.83 TERT (0.43) TERTABCG2TOP1CYCS
SCHEMBL18613121 0.81 ABCG2 (0.44) TERTABCG2TOP1CYCSENPP2
SCHEMBL17251752 0.81 TOP1 (0.41) TERTABCG2TOP1CYCSENPP2
SCHEMBL9581910 0.80 TERT (0.45) TERTABCG2TOP1CYCSENPP2
SCHEMBL29408466 0.80 TERT (0.45) TERTABCG2TOP1CYCSENPP2
SCHEMBL18593562 0.79 TERT (0.42) TERTTOP1CYCSENPP2
SCHEMBL17251727 0.79 TOP1 (0.43) TERTABCG2TOP1CYCSENPP2
SCHEMBL20405346 0.75 TERT (0.32) TERTABCG2
SCHEMBL266547 0.73 TERT (0.57) TERTABCG2TOP1CYCSENPP2

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 TERT 738/4885ABCG2 4362/4885TOP1 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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