SCHEMBL5011951

SCHEMBL5011951

CCCCCCc1c2nc(cc3[nH]c(c(N)c3-c3ccccc3)c(CCCCCC)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ DHFR P00374 1/20 0.38
▸ GCGR P47871 3/20 0.36
▸ TLR8 Q9NR97 6/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ DCTPP1 Q9H773 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
SCHEMBL5011908 0.96 STAT3 (0.49) STAT3STAT1DHFRGCGRDPP4
SCHEMBL17419215 0.83 STAT3 (0.43) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL4551743 0.82 STAT3 (0.44) STAT3STAT1KDM4EALDH1A1GAA
SCHEMBL6003904 0.81 STAT3 (0.41) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL3522373 0.81 STAT3 (0.41) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL3520094 0.81 STAT3 (0.41) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL15510967 0.81 STAT3 (0.41) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL7647119 0.81 STAT3 (0.41) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL7262704 0.81 STAT3 (0.50) STAT3STAT1DHFRGCGRTLR8
Hydrochloric Acid SCHEMBL27872840 0.80 STAT3 (0.40) STAT3STAT1KDM4EALDH1A1MAPT

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 4312/4885DHFR 1827/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885DHFR 871/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885DHFR 1326/4885

“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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