SCHEMBL18014715

SCHEMBL18014715

COc1ccc(-c2cccc(CC(C)(C)C)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ STS P08842 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL18015828 0.83 BCL2 (0.46) PTGS2PTGS1ADORA2AADORA1MEN1
SCHEMBL9917309 0.82 KMT2A (0.53) MEN1ALDH1A1KMT2ATTRMAOB
SCHEMBL23345996 0.79 ACMSD (0.46) PTGS2PTGS1ADORA2AADORA1ALDH1A1
SCHEMBL197793 0.79 GGPS1 (0.44) —
SCHEMBL18014712 0.78 SHMT1 (0.52) MAOB
SCHEMBL23296176 0.77 GAA (0.52) ALDH1A1KMO
SCHEMBL18014717 0.77 CYP1A1 (0.45) NR3C1HTR7
SCHEMBL12326172 0.77 PTGS2 (0.53) PTGS2PTGS1ADORA2AADORA1MEN1
SCHEMBL21116012 0.76 ADORA2A (0.50) PTGS2PTGS1ADORA2AADORA1MEN1
SCHEMBL18014709 0.76 MAOB (0.51) ALDH1A1HTR1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 PTGS2 1534/4885PTGS1 1622/4885ADORA2A 948/4885

“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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