SCHEMBL14226913

SCHEMBL14226913

COc1cccc(-n2cc(-c3cccc(OC(=O)c4cccc(C(C)=O)c4)c3)nn2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 7/20 0.63
▸ ORAI1 Q96D31 7/20 0.63
▸ KEAP1 Q14145 2/20 0.57
▸ NFE2L2 Q16236 2/20 0.57
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ AURKA O14965 3/20 0.52
▸ AURKB Q96GD4 3/20 0.52
▸ GPR142 Q7Z601 2/20 0.49
▸ CYP1B1 Q16678 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL14226912 0.84 STIM1 (0.59) STIM1ORAI1CA12CA1CA2
SCHEMBL10195868 0.84 STIM1 (0.83) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL14226916 0.82 STIM1 (0.57) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628275 0.79 STIM1 (0.86) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL29946185 0.79 STIM1 (0.86) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL28940698 0.78 KEAP1 (0.59) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL29626830 0.78 KEAP1 (0.59) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL181689 0.78 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL17018619 0.78 ESR1 (0.68) ESR1ESR2KMT2A
SCHEMBL29946160 0.78 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2CA12

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 STIM1 4880/4885ORAI1 4873/4885KEAP1 1265/4885

“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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