SCHEMBL5011897

SCHEMBL5011897

CCCCCCCC1=C2C=CC(=N2)C(c2c(Br)cccc2Br)=C2C=CC(=N2)C(CCCCCCC)=C2C=CC(=N2)C(c2c(Br)cccc2Br)=C2C=CC1=N2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL1194296 0.78 KCNH2 (0.35) KCNH2GPR84
SCHEMBL17419219 0.78 KCNH2 (0.33) KCNH2GPR84
SCHEMBL2313952 0.77 GCGR (0.40) KCNH2
SCHEMBL2337738 0.77 GCGR (0.40) KCNH2
SCHEMBL17681580 0.75 GCGR (0.41) —
SCHEMBL10614683 0.74 RAB9A (0.36) —
SCHEMBL8198894 0.74 ESR1 (0.41) —
SCHEMBL17681578 0.73 CASP3 (0.42) —
SCHEMBL586062 0.69 GCGR (0.34) —
SCHEMBL3474362 0.68 MAPT (0.47) —

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 KCNH2 1472/4885GPR84 4236/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS KCNH2 4163/4885GPR84 4391/4885

“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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