SCHEMBL13057737

SCHEMBL13057737

C=CC1CCC(C2CCC(COc3ccc(-c4ccc(O)c(F)c4)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
FFAR4 Q5NUL3 3/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
FEN1 P39748 3/20 0.33
ALOX5AP P20292 2/20 0.33
BRD4 O60885 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B1 P14061 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31

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
SCHEMBL1311530 0.88 FFAR4 (0.38) FFAR4FEN1ALOX5APBRD4GABRA1
SCHEMBL2266307 0.85 PDE4A (0.34) JAK3PDE4APDE4BPDE4CPDE4D
SCHEMBL2266312 0.85 PDE4A (0.34) JAK3PDE4APDE4BPDE4CPDE4D
SCHEMBL2266302 0.85 PDE4A (0.34) JAK3PDE4APDE4BPDE4CPDE4D
SCHEMBL2266297 0.85 PDE4A (0.34) JAK3PDE4APDE4BPDE4CPDE4D
SCHEMBL3272073 0.84 FFAR4 (0.41) FFAR4BRD4GABRA1GABRB2TLR9
SCHEMBL1311476 0.84 FFAR4 (0.41) FFAR4BRD4GABRA1GABRB2TLR9
SCHEMBL15723212 0.82 FFAR4 (0.35) FFAR4FEN1ALOX5APBRD4TLR9
SCHEMBL24170300 0.82 HTR2C (0.37) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL12366417 0.82 HTR2C (0.37) PDE4APDE4BPDE4CPDE4DHTR2A

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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 JAK3 34/4885FFAR4 634/4885ESR1 3679/4885

“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.