SCHEMBL18314828

SCHEMBL18314828

CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(OC(F)(F)C=C(F)F)cc4)cc3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
RARB P10826 1/20 0.34
GRM2 Q14416 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
RORC P51449 6/20 0.32
APP P05067 2/20 0.32
PDK2 Q15119 1/20 0.32
RORA P35398 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP2C19 P33261 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
SCHEMBL18559860 0.95 S1PR1 (0.35) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18314925 0.94 RARB (0.37) S1PR1S1PR3RARBGRM2RORC
SCHEMBL18314829 0.91 GRM2 (0.34) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18315082 0.91 S1PR1 (0.33) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18314922 0.91 RARB (0.37) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18314999 0.90 GRM2 (0.35) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18314836 0.89 GRM2 (0.34) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL17050131 0.88 RARB (0.39) S1PR1S1PR3RARBGRM2PDK2
SCHEMBL18314811 0.87 RARB (0.38) S1PR1S1PR3RARBGRM2AKR1C3
SCHEMBL18559863 0.87 S1PR1 (0.35) S1PR1S1PR3RARBGRM2AKR1C3

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-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 S1PR1 3198/4885S1PR3 4003/4885RARB 2668/4885

“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.