SCHEMBL18314853

SCHEMBL18314853

CCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)C=C(F)F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
ERN1 O75460 1/20 0.31
GRM2 Q14416 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
SCHEMBL18314891 0.95 S1PR1 (0.33) S1PR1S1PR3ERN1GRM2
SCHEMBL18315042 0.93 S1PR1 (0.34) S1PR1S1PR3ERN1GRM2
SCHEMBL18560115 0.93 S1PR1 (0.34) S1PR1S1PR3ERN1GRM2
SCHEMBL18315064 0.92 S1PR1 (0.33) S1PR1S1PR3ERN1
SCHEMBL18315074 0.92 ERN1 (0.31) S1PR1S1PR3ERN1
SCHEMBL17050125 0.90 S1PR1 (0.34) S1PR1S1PR3GRM2
SCHEMBL18314998 0.90 S1PR1 (0.31) S1PR1S1PR3ERN1
SCHEMBL18314846 0.90
SCHEMBL18314839 0.89 ACACB (0.31) S1PR1S1PR3
SCHEMBL18315012 0.88

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 4003/4885ERN1 1553/4885

“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.