SCHEMBL18014707

SCHEMBL18014707

CC(C)(C)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.60
KIF11 P52732 4/20 0.50
CASR P41180 1/20 0.47
MAOB P27338 2/20 0.45
PTPN5 P54829 2/20 0.44
MGLL Q99685 1/20 0.44
FFAR1 O14842 4/20 0.43
GGPS1 O95749 1/20 0.42
DHODH Q02127 1/20 0.40

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
SCHEMBL18014703 0.88 MAOB (0.50) AGXTMAOB
SCHEMBL197793 0.84 GGPS1 (0.44) AGXTGGPS1
SCHEMBL20782328 0.83 MAOB (0.60) AGXTKIF11MAOBPTPN5
SCHEMBL13182829 0.83 AGXT (0.60) AGXTKIF11CASRMAOBPTPN5
SCHEMBL14357376 0.83 AGXT (0.56) AGXTPTPN5MGLLGGPS1
SCHEMBL257786 0.83 AGXT (0.64) AGXTKIF11CASRMAOBPTPN5
SCHEMBL20781935 0.82 KIF11 (0.54) KIF11MAOB
SCHEMBL73993 0.80 HTR2A (0.58) MAOB
SCHEMBL18014710 0.80 KIF11 (0.53) KIF11FFAR1
SCHEMBL894079 0.79 AGXT (0.69) AGXTKIF11CASRMAOBPTPN5

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 AGXT 4198/4885KIF11 4539/4885CASR 1904/4885

“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.