SCHEMBL14226918

SCHEMBL14226918

COc1cccc(-c2cn(-c3cccc(OP(C)(=O)c4ccccc4)c3)nn2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 5/20 0.59
▸ NFE2L2 Q16236 5/20 0.59
▸ STIM1 Q13586 7/20 0.57
▸ ORAI1 Q96D31 7/20 0.57
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.50
▸ LMNA P02545 1/20 0.43
▸ GPR142 Q7Z601 1/20 0.42
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42

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
SCHEMBL10195868 0.79 STIM1 (0.83) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL22643388 0.78 KEAP1 (0.64) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL181689 0.75 STIM1 (0.85) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL26628275 0.74 STIM1 (0.86) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL29946185 0.74 STIM1 (0.86) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL23557721 0.73 HSD17B1 (0.72) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL26628325 0.72 STIM1 (1.00) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL29946160 0.72 STIM1 (1.00) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL14226913 0.72 STIM1 (0.63) KEAP1NFE2L2STIM1ORAI1CA12
SCHEMBL22833938 0.72 CYP1B1 (0.63) KEAP1NFE2L2STIM1ORAI1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895688-B2 Halogen-free flame retarding materials based on bisphenol triazole resins and polymers UNIVERSITY OF MASSCHUSETTS (US) 2014-11-25 — — US disclosed
US-20120316313-A1 HALOGEN-FREE FLAME RETARDING MATERIALS BASED ON BISPHENOL TRIAZOLE RESINS AND POLYMERS UNIVERSITY OF MASSACHUSETTS 2012-12-13 — — 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 (1 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-20120316313-A1 HALOGEN-FREE FLAME RETARDING MATERIALS BASED ON BISPHENOL TRIAZOLE RESINS AND POLYMERS FFAR3, FHIT, BRPF3 KEAP1 1265/4885NFE2L2 2377/4885STIM1 4880/4885

“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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