SCHEMBL5011955

SCHEMBL5011955

COc1ccc(Nc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Nc6ccc(OC)cc6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ AURKA O14965 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.38

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
SCHEMBL4266558 0.93 STAT3 (0.63) STAT3STAT1AURKAABCG2NPC1
SCHEMBL9590030 0.90 STAT3 (0.60) STAT3STAT1AURKAABCG2NPC1
SCHEMBL8996959 0.89 STAT3 (0.59) STAT3STAT1AURKAABCG2NPC1
SCHEMBL7258044 0.87 STAT3 (0.49) STAT3STAT1ABCG2MAPTKDM4E
SCHEMBL7257328 0.87 STAT3 (0.56) STAT3STAT1ABCG2NPC1RAB9A
SCHEMBL5013925 0.85 STAT3 (0.71) STAT3STAT1ABCG2L3MBTL1MAPK1
SCHEMBL3838362 0.85 STAT3 (0.54) STAT3STAT1AURKAABCG2NPC1
SCHEMBL8431348 0.85 STAT3 (0.54) STAT3STAT1AURKAABCG2NPC1
SCHEMBL6804332 0.83 STAT3 (0.59) STAT3STAT1ABCG2NPC1RAB9A
SCHEMBL2942315 0.81 STAT3 (0.56) STAT3STAT1ABCG2NPC1RAB9A

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 4312/4885AURKA 1858/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885AURKA 3667/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885AURKA 4434/4885

“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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