SCHEMBL5015256

SCHEMBL5015256

COc1cc(OC)cc(-c2c3nc(c(-c4c(Br)cccc4Br)c4ccc([nH]4)c(-c4cc(OC)cc(OC)c4)c4nc(c(-c5c(Br)cccc5Br)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TOP1 P11387 2/20 0.38
▸ CYCS P99999 3/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP4B1 P13584 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2A7 P20853 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP2F1 P24903 1/20 0.37
▸ CYP2C18 P33260 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL498495 0.88 TERT (0.51) TERTABCG2TOP1CYCSENPP2
SCHEMBL29408468 0.88 TERT (0.51) TERTABCG2TOP1CYCSENPP2
SCHEMBL2868186 0.81 TERT (0.39) TERTABCG2TOP1CYCSENPP2
SCHEMBL433807 0.81 TERT (0.49) TERTABCG2CYP1A2CYP2C9CYP2B6
SCHEMBL30081962 0.81 TERT (0.49) TERTABCG2CYP1A2CYP2C9CYP2B6
SCHEMBL17687648 0.80 TERT (0.43) TERTABCG2CYP1A2CYP2C9CYP2B6
SCHEMBL1792646 0.80 TERT (0.42) TERTTOP1CYCSENPP2STAT3
SCHEMBL14657713 0.80 TERT (0.42) TERTABCG2TOP1CYCSENPP2
SCHEMBL5013893 0.79 TOP1 (0.51) TERTTOP1CYCSENPP2STAT3
SCHEMBL7261646 0.79 TOP1 (0.60) TERTABCG2TOP1CYCSENPP2

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
EP-1971591-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS Medichem, S.A. (ES) 2008-09-24 — — EP 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
WO-2007096707-A2 IMPROVED SYNTHESIS AND PREPARATIONS OF DULOXETINE SALTS MEDICHEM S.A. (US) 2007-08-30 — — WO 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 (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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG TERT 645/4885ABCG2 4619/4885TOP1 1268/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TERT 1385/4885ABCG2 3295/4885TOP1 1564/4885

“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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