SCHEMBL18014739

SCHEMBL18014739

CC(C)(C)Cc1coc2ccc(C(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ MTNR1B P49286 1/20 0.38
▸ KDM1A O60341 3/20 0.36
▸ PON1 P27169 1/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL21116465 0.84 TP53 (0.46) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL18015849 0.81 MTNR1A (0.45) TP53MAPTSMN1; SMN2MTNR1B
SCHEMBL21116466 0.81 TP53 (0.46) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL17107455 0.81 MAOB (0.44) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL16619764 0.81 TP53 (0.43) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL18014738 0.78 PON1 (0.58) MAPTPON1MAOA
SCHEMBL4446704 0.75 KIF11 (0.42) TP53MAPTSMN1; SMN2EPHX2KIF11
SCHEMBL17324189 0.75 MTNR1A (0.40) TP53MAPTSMN1; SMN2MTNR1BKIF11
SCHEMBL12776232 0.73 CA2 (0.50) MAOAMAOB
SCHEMBL25037452 0.72 PON1 (0.51) TP53MAPTSMN1; SMN2MTNR1BPON1

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 TP53 2499/4885MAPT 358/4885SMN1; SMN2 1127/4885

“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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