SCHEMBL5015205

SCHEMBL5015205

CC(C)(C)c1ccc(C2=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC(=N3)C(c3ccc(C(C)(C)C)cc3)=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC2=N3)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.33
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL1792650 0.88 RXRA (0.32) KIF11
SCHEMBL5015417 0.86 KIF11 (0.35) KIF11
SCHEMBL5015183 0.82 FABP4 (0.38) ALDH1A1
SCHEMBL5015198 0.78 MAPT (0.38) NPC1RAB9AKDM4EKMT2A
SCHEMBL6886262 0.74 KIF11 (0.40) KIF11NPC1RAB9A
SCHEMBL5015257 0.74 CYP1A1 (0.39) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5013913 0.73 — —
SCHEMBL14657716 0.73 — —
SCHEMBL5013036 0.72 RAPGEF4 (0.30) —
SCHEMBL5016486 0.72 TOP1 (0.35) KDM4EALDH1A1

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 KIF11 3643/4885NPC1 1912/4885RAB9A 4044/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS KIF11 4298/4885NPC1 3382/4885RAB9A 4543/4885

“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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