SCHEMBL18310399

SCHEMBL18310399

CCOc1ccc(-c2ccc(OCF)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.50
PPARD Q03181 3/20 0.50
NQO1 P15559 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM1A O60341 2/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
NAAA Q02083 1/20 0.39

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
SCHEMBL9664359 0.84 FFAR1 (0.51) FFAR1PPARDNQO1L3MBTL1KDM1A
SCHEMBL9484876 0.82 L3MBTL1 (0.53) FFAR1PPARDL3MBTL1CYP11B1CYP11B2
SCHEMBL9225813 0.81 FFAR1 (0.46) FFAR1PPARDNQO1TDP1CYP11B1
SCHEMBL9751747 0.81 NQO1 (0.54) FFAR1PPARDNQO1L3MBTL1TDP1
SCHEMBL18310405 0.79 CYP17A1 (0.44) FFAR1PPARDRARARARBNPC1
SCHEMBL13198678 0.79 CYP17A1 (0.44) FFAR1PPARDRARARARBNPC1
SCHEMBL17127349 0.79 NQO1 (0.56) NQO1L3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL16574198 0.78 KDM1A (0.46) FFAR1PPARDL3MBTL1TDP1KDM1A
SCHEMBL19954040 0.78 KIF11 (0.47) CYP17A1
SCHEMBL18310468 0.78 PPARD (0.48) FFAR1PPARDRARARARBFFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
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 FFAR1 492/4885PPARD 4097/4885NQO1 4673/4885

“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.