SCHEMBL18593559

SCHEMBL18593559

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ TERT O14746 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL17251677 0.94 ABCG2 (0.41) ABCG2AMY1ATNKSTNKS2PARP2
SCHEMBL29408466 0.81 TERT (0.45) ABCG2ENPP2TERTTOP1
SCHEMBL9581910 0.81 TERT (0.45) ABCG2ENPP2TERTTOP1
SCHEMBL18593558 0.80 TOP1 (0.45) ABCG2ENPP2TERTTOP1
SCHEMBL479431 0.79 TERT (0.49) ABCG2ENPP2TERTTOP1
SCHEMBL5016668 0.79 TERT (0.49) ABCG2ENPP2TERTTOP1
SCHEMBL5011964 0.79 TERT (0.49) ABCG2ENPP2TERTTOP1
SCHEMBL8953572 0.79 MEN1 (0.55) L3MBTL1PDE4DMAPTENPP2MEN1
SCHEMBL17251679 0.78 ABCG2 (0.41) ABCG2ENPP2TERTTOP1
SCHEMBL8347099 0.76 NPC1 (0.54) L3MBTL1MAPTMEN1KMT2ANPC1

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-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 ABCG2 4362/4885AMY1A 2586/4885TNKS 2611/4885

“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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