SCHEMBL5015172

SCHEMBL5015172

CC(C)(C)c1cc(C2=C3C=CC(=N3)C(Br)=C3C=CC(=N3)C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3C=CC(=N3)C(Br)=C3C=CC2=N3)cc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31

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
SCHEMBL2064910 0.90 KDM4E (0.39) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL28673919 0.86 RXRA (0.40) MAPT
SCHEMBL1792650 0.81 RXRA (0.32) S1PR1S1PR3
SCHEMBL28670662 0.81 RXRB (0.39) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL28665114 0.80 RXRB (0.38) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL4260285 0.77 KDM4E (0.30) KDM4EGAAMAPT
SCHEMBL28464164 0.71 ALDH1A1 (0.31) —
SCHEMBL5011851 0.71 ALDH1A1 (0.31) —
SCHEMBL28689278 0.71 RXRA (0.34) —
SCHEMBL28672578 0.69 — —

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 3 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-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — 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 (2 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 KDM4E 1717/4885GAA 4228/4885MAPT 3453/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS KDM4E 3390/4885GAA 2694/4885MAPT 4138/4885

“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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