SCHEMBL14226907

SCHEMBL14226907

CC(O)COc1cccc(-c2cn(-c3cccc(OCC(C)O)c3)nn2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 10/20 0.55
▸ NFE2L2 Q16236 10/20 0.55
▸ STIM1 Q13586 2/20 0.48
▸ ORAI1 Q96D31 2/20 0.48
▸ NOTUM Q6P988 1/20 0.48
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL14226910 0.80 PTGS2 (0.50) NOTUMCYP1B1CA12CA1CA2
SCHEMBL14226916 0.76 STIM1 (0.57) KEAP1NFE2L2STIM1ORAI1HSD17B1
SCHEMBL15244877 0.75 KEAP1 (0.55) KEAP1NFE2L2STIM1ORAI1NOTUM
SCHEMBL14226914 0.75 ALDH1A1 (0.54) KEAP1NFE2L2STIM1ORAI1NOTUM
SCHEMBL16603465 0.73 KEAP1 (0.55) KEAP1NFE2L2STIM1ORAI1NOTUM
SCHEMBL22643388 0.72 KEAP1 (0.64) KEAP1NFE2L2STIM1ORAI1NOTUM
SCHEMBL29640061 0.72 HSD17B1 (0.53) KEAP1NFE2L2HSD17B1HSD17B2CA12
SCHEMBL28741924 0.72 HSD17B1 (0.53) KEAP1NFE2L2HSD17B1HSD17B2CA12
SCHEMBL1241813 0.72 LMNA (0.73) LMNA
SCHEMBL15036886 0.72 KEAP1 (0.48) KEAP1NFE2L2STIM1ORAI1NOTUM

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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