SCHEMBL11953604

SCHEMBL11953604

CCOc1ccc(CC/C=C/C2CCC(c3ccc(CC)cc3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
KDM1A O60341 2/20 0.32
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL11894207 0.93 SPHK1 (0.34) FFAR4KDM1ASPHK1
SCHEMBL11894206 0.93 SPHK1 (0.34) FFAR4KDM1ASPHK1
SCHEMBL11894205 0.93 SPHK1 (0.34) FFAR4KDM1ASPHK1
SCHEMBL11894208 0.93 SPHK1 (0.34) FFAR4KDM1ASPHK1
SCHEMBL11953608 0.91 FFAR4 (0.31) FFAR4KDM1ASPHK1
SCHEMBL11953605 0.91 SPHK1 (0.40) FFAR4KDM1ASPHK1
SCHEMBL11953603 0.90 MEN1 (0.38) KDM1A
SCHEMBL11953598 0.90 SPHK1 (0.44) FFAR4SPHK1
SCHEMBL11953607 0.90 SPHK1 (0.30) SPHK1
SCHEMBL11953606 0.89 SPHK1 (0.46) FFAR4SPHK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 FFAR4 1472/4885KDM1A 2641/4885SPHK1 1560/4885

“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.