SCHEMBL5011908

SCHEMBL5011908

CCCCc1c2nc(cc3[nH]c(c(N)c3-c3ccccc3)c(CCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ DCTPP1 Q9H773 1/20 0.33
▸ GCGR P47871 2/20 0.33
▸ DHFR P00374 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL5011951 0.96 STAT3 (0.47) STAT3STAT1DCTPP1GCGRDHFR
SCHEMBL3527775 0.80 STAT3 (0.43) STAT3STAT1KDM4ECYP1A2CYP3A4
SCHEMBL4551743 0.79 STAT3 (0.44) STAT3STAT1KDM4EHSD17B10
SCHEMBL7262704 0.78 STAT3 (0.50) STAT3STAT1GCGRDHFR
SCHEMBL17419215 0.78 STAT3 (0.43) STAT3STAT1KDM4EHSD17B10
SCHEMBL27971649 0.77 STAT3 (0.44) STAT3STAT1DCTPP1GCGRDHFR
SCHEMBL5133634 0.77 STAT3 (0.42) STAT3STAT1KDM4EHSD17B10
SCHEMBL28252316 0.76 STAT3 (0.45) STAT3STAT1DCTPP1GCGRDHFR
SCHEMBL6003904 0.76 STAT3 (0.41) STAT3STAT1KDM4EHSD17B10
SCHEMBL15510967 0.76 STAT3 (0.41) STAT3STAT1KDM4EHSD17B10

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 STAT3 3817/4885STAT1 4312/4885DCTPP1 3738/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885DCTPP1 709/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885DCTPP1 914/4885

“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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