SCHEMBL18314836

SCHEMBL18314836

CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(OC(F)(F)C=C(F)F)c(F)c4)cc3)c(F)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 3/20 0.33
PPARD Q03181 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RARB P10826 1/20 0.31
CETP P11597 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL18314999 0.98 GRM2 (0.35) GRM2S1PR1S1PR3PPARDALOX5
SCHEMBL18314829 0.97 GRM2 (0.34) GRM2S1PR1S1PR3PPARDALOX5
SCHEMBL18559863 0.94 S1PR1 (0.35) GRM2S1PR1S1PR3PPARDALOX5AP
SCHEMBL18315056 0.91 GRM2 (0.32) GRM2S1PR1S1PR3ALOX5APFEN1
SCHEMBL18314993 0.90 S1PR1 (0.33) S1PR1PPARDALOX5
SCHEMBL18314816 0.90 S1PR1 (0.33) S1PR1PPARDALOX5
SCHEMBL18314823 0.89 GABRA1 (0.38) PPARDALOX5GABRA1GABRB2RARB
SCHEMBL18314848 0.89 KIF11 (0.35) GRM2S1PR1S1PR3RARB
SCHEMBL18314828 0.89 S1PR1 (0.34) GRM2S1PR1S1PR3RARBAKR1C3
SCHEMBL18314831 0.88 S1PR1 (0.36) S1PR1S1PR3ALOX5GABRA1GABRB2

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 GRM2 2390/4885S1PR1 3198/4885S1PR3 4003/4885

“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.