SCHEMBL1792650

SCHEMBL1792650

CC(C)(C)c1cc(C2=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC(=N3)C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC2=N3)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL5015205 0.88 KIF11 (0.33) KIF11
SCHEMBL2064910 0.84 KDM4E (0.39) RXRARXRBKIF11S1PR1S1PR3
SCHEMBL5015172 0.81 KDM4E (0.33) S1PR1S1PR3
SCHEMBL28670662 0.81 RXRB (0.39) RXRARXRBKIF11S1PR1S1PR3
SCHEMBL28665114 0.80 RXRB (0.38) RXRARXRBKIF11S1PR1S1PR3
SCHEMBL5015257 0.78 CYP1A1 (0.39) —
SCHEMBL5015183 0.78 FABP4 (0.38) —
SCHEMBL14657716 0.77 — —
SCHEMBL5015417 0.77 KIF11 (0.35) KIF11
SCHEMBL5013036 0.74 RAPGEF4 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-05-12 — — US disclosed
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 (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 RXRA 594/4885RXRB 737/4885KIF11 3643/4885
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides PPOX, SOD1, AP1S1 RXRA 3103/4885RXRB 3146/4885KIF11 3569/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS RXRA 1594/4885RXRB 1812/4885KIF11 4298/4885

“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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