SCHEMBL12842181

SCHEMBL12842181

O=C(O)c1ccc(-c2ccc(-c3c4nc(c(-c5ccc(-c6ccc(C(=O)O)cc6)cc5)c5ccc([nH]5)c(-c5ccc(-c6ccc(C(=O)O)cc6)cc5)c5nc(c(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.97
▸ TOP1 P11387 4/20 0.97
▸ ENPP2 Q13822 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ TERT O14746 3/20 0.50
▸ GRIK1 P39086 1/20 0.47
▸ GRIK2 Q13002 1/20 0.47
▸ GRIK3 Q13003 1/20 0.47
▸ TTR P02766 1/20 0.45

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
SCHEMBL709532 0.98 TOP1 (1.00) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL29354037 0.98 TOP1 (1.00) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL31463632 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL17002623 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL31463629 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL19640853 0.97 CYCS (1.00) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL17183606 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL1497141 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL3047596 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT
SCHEMBL31463636 0.97 TOP1 (0.97) CYCSTOP1ENPP2ABCG2TERT

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
US-20210395275-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF HYDROCARBON ISOMERS UNITED STATES DEPARTMENT OF ENERGY 2021-12-23 — — US disclosed
WO-2019157013-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF HYDROCARBON ISOMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-08-15 — — WO disclosed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 — — 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 (2 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-20210395275-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF HYDROCARBON ISOMERS TIMCC, TRPC4, TRPC6 CYCS 127/4885TOP1 1542/4885ENPP2 542/4885
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS CYCS 33/4885TOP1 2148/4885ENPP2 1541/4885

“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.

Send feedback