SCHEMBL5013766

SCHEMBL5013766

CCCCNc1ccc(-c2c3nc(c(-c4ccc(NCCCC)cc4)c4ccc([nH]4)c(-c4ccc(NCCCC)cc4)c4nc(c(-c5ccc(NCCCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.50
▸ TOP1 P11387 4/20 0.47
▸ CYCS P99999 3/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ BCHE P06276 1/20 0.40
▸ TRPC3 Q13507 1/20 0.40
▸ TRPC4 Q9UBN4 1/20 0.40
▸ TRPC5 Q9UL62 1/20 0.40

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
Hydrochloric Acid SCHEMBL589680 0.79 TERT (0.38) TERTTOP1ABCG2ENPP2
SCHEMBL9018611 0.79 TOP1 (0.52) TERTTOP1CYCSABCG2ENPP2
SCHEMBL7164187 0.78 TERT (0.54) TERTTOP1CYCSABCG2ENPP2
SCHEMBL6394334 0.77 TERT (0.57) TERTTOP1CYCSABCG2ENPP2
SCHEMBL3474355 0.76 TERT (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10717959 0.76 TERT (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL7738094 0.76 TERT (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL30207592 0.74 TERT (0.63) TERTTOP1CYCSABCG2ENPP2
SCHEMBL38662506 0.74 TOP1 (0.56) TERTTOP1CYCSABCG2ENPP2
SCHEMBL12190732 0.74 TERT (0.49) TERTTOP1CYCSABCG2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6951935-B2 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-10-04 — — 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
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2003-12-25 — — 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 645/4885TOP1 1268/4885CYCS 6/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD TERT 2629/4885TOP1 3026/4885CYCS 19/4885
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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