SCHEMBL18593558

SCHEMBL18593558

COc1cccc(OC)c1-c1c2nc(c(-c3cc(N)cc(N)c3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4cc(N)cc(N)c4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.45
▸ TERT O14746 4/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ CYCS P99999 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ CACNG8 Q8WXS5 1/20 0.36

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
SCHEMBL20405347 0.90 TOP1 (0.38) TOP1TERTABCG2CYCSENPP2
SCHEMBL29408466 0.86 TERT (0.45) TOP1TERTABCG2CYCSENPP2
SCHEMBL9581910 0.86 TERT (0.45) TOP1TERTABCG2CYCSENPP2
SCHEMBL5011964 0.84 TERT (0.49) TOP1TERTABCG2CYCSENPP2
SCHEMBL5016668 0.84 TERT (0.49) TOP1TERTABCG2CYCSENPP2
SCHEMBL479431 0.84 TERT (0.49) TOP1TERTABCG2CYCSENPP2
SCHEMBL17251679 0.82 ABCG2 (0.41) TOP1TERTABCG2CYCSENPP2
SCHEMBL18593559 0.80 ABCG2 (0.41) TOP1TERTABCG2ENPP2
SCHEMBL17251726 0.80 TOP1 (0.58) TOP1TERTABCG2CYCSENPP2
SCHEMBL2868186 0.79 TERT (0.39) TOP1TERTABCG2CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140312-B1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CENTRE NAT RECH SCIENT (FR) 2018-07-25 — — EP disclosed
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
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 TOP1 1138/4885TERT 738/4885ABCG2 4362/4885

“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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