SCHEMBL18014699

SCHEMBL18014699

CC(C)(C)Cc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
TACR1 P25103 3/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38
RIPK1 Q13546 1/20 0.38
HTR7 P34969 1/20 0.37

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
SCHEMBL13675366 0.82 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL13872997 0.82 PTGS2 (0.43) FFAR1FFAR4SLC6A4SLC6A3RIPK1
SCHEMBL5336630 0.81 DPP4 (0.54) TACR1ALDH1A1SLC6A2HSD17B10RIPK1
SCHEMBL5198493 0.80 PDK2 (0.53) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL5199432 0.79 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL22548896 0.79 KCNA5 (0.46) KIF11ALDH1A1TSHRHSD17B10RIPK1
SCHEMBL5511135 0.79 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL18014704 0.79 CYP2C19 (0.44) FFAR1FFAR4ALDH1A1TSHRSLC6A2
SCHEMBL9295043 0.79 DPP4 (0.62) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL2096005 0.79 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1

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 4539/4885TACR1 1388/4885FFAR1 2534/4885

“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.