SCHEMBL2868186

SCHEMBL2868186

COc1cccc(OC)c1-c1c2nc(c(-c3c(Br)cccc3Br)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(Br)cccc4Br)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.39
▸ AMY1A P0DUB6 3/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ TOP1 P11387 1/20 0.35
▸ CYCS P99999 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL9581910 0.91 TERT (0.45) TERTABCG2TOP1CYCSENPP2
SCHEMBL29408466 0.91 TERT (0.45) TERTABCG2TOP1CYCSENPP2
SCHEMBL5011964 0.83 TERT (0.49) TERTABCG2TOP1CYCSENPP2
SCHEMBL479431 0.83 TERT (0.49) TERTABCG2TOP1CYCSENPP2
SCHEMBL5016668 0.83 TERT (0.49) TERTABCG2TOP1CYCSENPP2
SCHEMBL18578770 0.83 TERT (0.39) TERTAMY1AABCG2TOP1CYCS
SCHEMBL5015256 0.81 TERT (0.42) TERTABCG2TOP1CYCSENPP2
SCHEMBL18593558 0.79 TOP1 (0.45) TERTABCG2TOP1CYCSENPP2
SCHEMBL17251726 0.79 TOP1 (0.58) TERTABCG2TOP1CYCSENPP2
SCHEMBL5013908 0.78 TERT (0.39) TERTTOP1CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA 2010-07-08 — — US disclosed
WO-2009114849-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA (US) 2009-09-17 — — WO disclosed
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 — — US disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — 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 (3 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG TERT 645/4885AMY1A 2517/4885ABCG2 4619/4885
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES CYCS, TST, CBS TERT 1829/4885AMY1A 1776/4885ABCG2 3428/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TERT 1385/4885AMY1A 1311/4885ABCG2 3295/4885

“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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