SCHEMBL14226912

SCHEMBL14226912

COc1ccc(-n2cc(-c3ccc(OC(=O)c4cccc(C(C)=O)c4)cc3)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 7/20 0.59
▸ ORAI1 Q96D31 7/20 0.59
▸ PTGS2 P35354 2/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ SNCA P37840 2/20 0.53
▸ CA12 O43570 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ AURKA O14965 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.46
▸ OGT O15294 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ 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
SCHEMBL14226913 0.84 STIM1 (0.63) STIM1ORAI1CA1CA2CA12
SCHEMBL12762426 0.81 MAPT (0.59) MEN1NPC1RAB9AKMT2A
SCHEMBL10022910 0.80 KMT2A (0.56) MEN1NPC1RAB9AKMT2A
SCHEMBL1429965 0.80 STIM1 (0.83) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL1430051 0.79 STIM1 (0.80) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL27903094 0.79 PTGS2 (0.76) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL182731 0.78 STIM1 (0.66) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL22834278 0.77 STIM1 (0.74) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL22833938 0.76 CYP1B1 (0.63) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL12762433 0.76 KMT2A (0.52) MEN1NPC1RAB9AKMT2A

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 4873/4885PTGS2 2578/4885

“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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