SCHEMBL18014696

SCHEMBL18014696

CC(C)(C)Cc1ccccc1-c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.47
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 5/20 0.47
FFAR1 O14842 1/20 0.38

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
SCHEMBL3949417 0.84 KCNA5 (0.45)
SCHEMBL18015897 0.82 CYP11B2 (0.47) KIF11CYP11B2CYP11B1
SCHEMBL13615055 0.77 CYP11B2 (0.56) KIF11CYP11B2CYP11B1
SCHEMBL18014699 0.76 KIF11 (0.47) KIF11FFAR1
SCHEMBL13872997 0.76 PTGS2 (0.43) FFAR1
SCHEMBL18014710 0.75 KIF11 (0.53) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL20343043 0.74 CYP11B2 (0.54) KIF11CYP11B2CYP11B1
SCHEMBL18601376 0.73 KIF11 (0.59) KIF11CYP11B2CYP11B1
SCHEMBL278624 0.71 IDO1 (0.52)
SCHEMBL5336630 0.71 DPP4 (0.54) CYP11B2CYP11B1

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 KIF11 4539/4885CYP11B2 1903/4885CYP11B1 1778/4885

“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.