SCHEMBL17016897

SCHEMBL17016897

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
TUBB1 Q9H4B7 1/20 0.31
APP P05067 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
SCHEMBL17016994 0.86 KDM1A (0.33) KDM1ATUBB1
SCHEMBL17017023 0.84 HPGD (0.33) KDM1ATUBB1
SCHEMBL17016753 0.82
SCHEMBL17016752 0.81 HPGD (0.31)
SCHEMBL17017040 0.81 GPR119 (0.32) TUBB1
SCHEMBL17016904 0.80 SPHK1 (0.37) KDM1A
SCHEMBL17016992 0.78 KDM1A (0.35) KDM1A
SCHEMBL17017061 0.78 HPGD (0.38)
SCHEMBL14922531 0.77 KDM1A (0.41) KDM1A
SCHEMBL17017034 0.76 TACR2 (0.39) KDM1ATUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 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-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 KDM1A 887/4885TUBB1 2393/4885APP 1473/4885

“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.