SCHEMBL1792646

SCHEMBL1792646

CC(C)(C)c1cc(-c2c3nc(c(-c4c(Br)cccc4Br)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(Br)cccc5Br)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.42
▸ TOP1 P11387 4/20 0.38
▸ CYCS P99999 3/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 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
SCHEMBL5011966 0.88 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL2064907 0.88 TERT (0.51) TERTTOP1CYCSENPP2
SCHEMBL5013770 0.85 TERT (0.44) TERTTOP1CYCSENPP2
SCHEMBL30831251 0.85 TERT (0.44) TERTTOP1CYCSENPP2
SCHEMBL28670658 0.84 STAT3 (0.51) TERTTOP1CYCSENPP2STAT3
SCHEMBL28665111 0.83 STAT3 (0.50) TERTTOP1CYCSENPP2STAT3
SCHEMBL16604345 0.82 STAT3 (0.49) TERTTOP1CYCSENPP2STAT3
SCHEMBL16433683 0.81 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL14657713 0.80 TERT (0.42) TERTTOP1CYCSENPP2STAT3
SCHEMBL5015256 0.80 TERT (0.42) TERTTOP1CYCSENPP2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 — — US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 — — US disclosed
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-05-12 — — US disclosed
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA 2010-07-08 — — 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-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 (5 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 645/4885TOP1 1268/4885CYCS 6/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 TERT 3383/4885TOP1 1505/4885CYCS 1/4885
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES CYCS, TST, CBS TERT 1829/4885TOP1 2811/4885CYCS 1/4885
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides PPOX, SOD1, AP1S1 TERT 2692/4885TOP1 2510/4885CYCS 76/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TERT 1385/4885TOP1 1564/4885CYCS 57/4885

“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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