SCHEMBL17017025

SCHEMBL17017025

CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(/C=C/CF)cc4)cc3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.36
▸ CNR2 P34972 4/20 0.35
▸ S1PR3 Q99500 2/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ MPL P40238 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
SCHEMBL17017057 0.90 PTPN2 (0.39) CNR2CYP3A4CYP2D6AHRPPARD
SCHEMBL22277698 0.85 CNR2 (0.42) S1PR1CNR2S1PR3RARBCNR1
SCHEMBL17016776 0.83 TUBB1 (0.37) ALDH1A1AHR
SCHEMBL9563933 0.83 S1PR1 (0.42) S1PR1CNR2S1PR3RARBCNR1
SCHEMBL9494631 0.83 S1PR1 (0.42) S1PR1CNR2S1PR3RARBCNR1
SCHEMBL20346165 0.83 S1PR1 (0.40) S1PR1CNR2S1PR3RARBCNR1
SCHEMBL25693856 0.83 S1PR1 (0.42) S1PR1CNR2S1PR3RARBSMN1; SMN2
SCHEMBL17017067 0.83 LMNA (0.41) RARBSMN1; SMN2CYP3A4CYP2D6PPARD
SCHEMBL20346167 0.82 S1PR1 (0.39) S1PR1CNR2S1PR3RARBCNR1
SCHEMBL9497004 0.82 RARB (0.45) S1PR1CNR2RARBSMN1; SMN2CYP3A4

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 4 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-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
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 S1PR1 1059/4885CNR2 1088/4885S1PR3 1401/4885

“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.

Send feedback