SCHEMBL18314993

SCHEMBL18314993

CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(OC(F)(F)C=C(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 1/20 0.32
PSEN1 P49768 3/20 0.32
THRB P10828 1/20 0.31
FFAR1 O14842 2/20 0.31
PPARD Q03181 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAOB P27338 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL18314816 1.00 S1PR1 (0.33) S1PR1PTGESALOX5PPARGPSEN1
SCHEMBL18559863 0.93 S1PR1 (0.35) S1PR1PPARDFFAR4
SCHEMBL18314829 0.92 GRM2 (0.34) S1PR1ALOX5PPARDFFAR4
SCHEMBL18314999 0.91 GRM2 (0.35) S1PR1ALOX5PPARDFFAR4
SCHEMBL18315052 0.90 S1PR1 (0.34) S1PR1THRB
SCHEMBL18314836 0.90 GRM2 (0.34) S1PR1ALOX5PPARD
SCHEMBL18314852 0.89 KIF11 (0.36) S1PR1FFAR1PPARD
SCHEMBL18315032 0.89 KIF11 (0.36) S1PR1FFAR1PPARD
SCHEMBL18314886 0.89 SMN1; SMN2 (0.42) THRBSENP8SENP7SENP6
SCHEMBL18315057 0.87 MAOB (0.32) MAOB

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 3198/4885PTGES 3083/4885ALOX5 761/4885

“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.