SCHEMBL5015257

SCHEMBL5015257

COc1cc(OC)cc(C2=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC2=N3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.39
▸ CYP1B1 Q16678 5/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2E1 P05181 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C8 P10632 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP4B1 P13584 3/20 0.39
▸ CYP2B6 P20813 3/20 0.39
▸ CYP3A5 P20815 3/20 0.39
▸ CYP2A7 P20853 3/20 0.39
▸ CYP3A7 P24462 3/20 0.39
▸ CYP2F1 P24903 3/20 0.39
▸ CYP2C18 P33260 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2J2 P51589 3/20 0.39
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4F8 P98187 3/20 0.39

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
SCHEMBL498496 0.84 CYP1B1 (0.42) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL5016486 0.80 TOP1 (0.35) CYP3A4TP53SMN1; SMN2MAPTHPGD
SCHEMBL1792650 0.78 RXRA (0.32) —
SCHEMBL5015183 0.78 FABP4 (0.38) ALDH1A1
SCHEMBL433808 0.78 DYRK1A (0.49) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL14657716 0.77 — —
SCHEMBL17687649 0.77 DYRK1A (0.42) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7261654 0.76 CYP19A1 (0.41) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL5013036 0.74 RAPGEF4 (0.30) —
SCHEMBL5015205 0.74 KIF11 (0.33) KMT2ARAB9ANPC1KDM4EALDH1A1

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 CYP1A1 902/4885CYP1B1 1369/4885CYP1A2 724/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS CYP1A1 102/4885CYP1B1 157/4885CYP1A2 105/4885

“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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