SCHEMBL17355474

SCHEMBL17355474

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)F)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
SLC7A5 Q01650 2/20 0.34
FFAR1 O14842 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 6/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PDE2A O00408 1/20 0.30
IDO1 P14902 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
SCHEMBL17355448 0.91 AR (0.31) ARCTSLCTSSCTSK
SCHEMBL17355630 0.91 CYP11B2 (0.37) ARCYP11B1CYP11B2KIF11
SCHEMBL17355602 0.91 CYP11B2 (0.37) ARCYP11B1CYP11B2KIF11
SCHEMBL17355431 0.91 AR (0.32) ARHTR2ASLC6A4KCNH2CTSL
SCHEMBL17355420 0.88 CTSL (0.33) ARCTSLCTSSCTSK
SCHEMBL17355480 0.87 AR (0.32) ARCTSLCTSSCTSKIDO1
SCHEMBL17355562 0.86 SLC7A5 (0.36) ARSLC7A5CTSLCTSSCTSK
SCHEMBL17377957 0.85
SCHEMBL17355506 0.84 CTSL (0.33) HTR2ASLC6A4KCNH2CTSLCTSS
SCHEMBL17355444 0.84 AKR1C3 (0.39) KIF11CTSLCTSSCTSKIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
EP-2957554-A1 LIQUID-CRYSTALLINE COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-12-23 EP 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-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CPNE4, PIEZO1 AR 3218/4885CYP11B1 4164/4885CYP11B2 4424/4885

“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.