SCHEMBL18314916

SCHEMBL18314916

CCCc1ccc(-c2cc(F)c(OC(F)(F)C=C(F)F)c(F)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RARB P10826 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
ALOX5 P09917 2/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
CETP P11597 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
SCHEMBL18314841 0.98 GABRA1 (0.36) PDK2CNR1CNR2RARBGABRA1
SCHEMBL18314977 0.96 PDK2 (0.33) PDK2CNR1CNR2RARBGABRA1
SCHEMBL18314847 0.94 ALOX5 (0.33) PDK2RARBGABRA1GABRB2ALOX5
SCHEMBL18314820 0.93 RARB (0.37) PDK2RARBGABRA1GABRB2ALOX5
SCHEMBL18314840 0.93 RARB (0.37) PDK2RARBGABRA1GABRB2ALOX5
SCHEMBL18314838 0.92 RARB (0.36) PDK2RARBGABRA1GABRB2ALOX5
SCHEMBL18315074 0.91 ERN1 (0.31) PDK2S1PR1S1PR3
SCHEMBL18314845 0.89 RARB (0.34) PDK2RARBS1PR1S1PR3
SCHEMBL18314998 0.89 S1PR1 (0.31) RARBGABRA1GABRB2ALOX5S1PR1
SCHEMBL18315012 0.87

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
EP-3135659-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-03-01 EP disclosed
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 PDK2 1792/4885CNR1 851/4885CNR2 1173/4885

“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.