SCHEMBL18314852

SCHEMBL18314852

CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(OC(F)(F)C=C(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
S1PR1 P21453 1/20 0.35
RARB P10826 3/20 0.32
RARA P10276 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RARG P13631 1/20 0.32
CYP17A1 P05093 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
MCL1 Q07820 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
SCHEMBL18315032 1.00 KIF11 (0.36) KIF11S1PR1RARBRARACYP11B1
SCHEMBL18314844 0.95 KIF11 (0.33) KIF11S1PR1RARBRARACYP11B1
SCHEMBL18314848 0.93 KIF11 (0.35) KIF11S1PR1RARB
SCHEMBL18315024 0.91 KIF11 (0.40) KIF11S1PR1RARBRARACYP11B1
SCHEMBL18315056 0.91 GRM2 (0.32) S1PR1
SCHEMBL18315052 0.89 S1PR1 (0.34) S1PR1RARBRARARARG
SCHEMBL18314993 0.89 S1PR1 (0.33) S1PR1FFAR1PPARD
SCHEMBL18314816 0.89 S1PR1 (0.33) S1PR1FFAR1PPARD
SCHEMBL18314926 0.89 RARB (0.39) KIF11S1PR1RARBRARARARG
SCHEMBL18314911 0.89 RARB (0.39) KIF11S1PR1RARBRARARARG

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 KIF11 912/4885S1PR1 3198/4885RARB 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.