SCHEMBL5013732

SCHEMBL5013732

C1=Cc2cc3ccc([nH]3)c(Oc3ccccc3)c3nc(cc4ccc(cc1n2)[nH]4)C=C3

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHEK2 O96017 6/20 0.33
▸ RHEB Q15382 4/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ XDH P47989 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
SCHEMBL480529 0.80 STAT3 (0.47) STAT3STAT1
SCHEMBL14480285 0.79 KMT2A (0.44) KMT2AKDM4EGLAMAPTRHEB
SCHEMBL5013730 0.79 STAT3 (0.43) STAT3STAT1KMT2ACHEK2RHEB
SCHEMBL14480290 0.78 STAT3 (0.36) STAT3STAT1
SCHEMBL8608613 0.77 STAT3 (0.48) STAT3STAT1CHEK2
SCHEMBL473158 0.76 STAT3 (0.86) STAT3STAT1
SCHEMBL30753635 0.76 STAT3 (0.86) STAT3STAT1
SCHEMBL28947315 0.75 STAT3 (0.49) STAT3STAT1KMT2AKDM4EMAPT
SCHEMBL1275381 0.75 STAT3 (0.84) STAT3STAT1
SCHEMBL51570 0.74 STAT3 (0.59) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122245-A Fluorescent carbon dot with narrow fluorescence emission peak half-peak width and preparation method thereof 中国科学院理化技术研究所 2021-07-16 — — CN claimed
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 4312/4885KMT2A 1748/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885KMT2A 1103/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885KMT2A 2709/4885

“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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