SCHEMBL18310380

SCHEMBL18310380

CCCc1cc(F)c(-c2cc(F)c(OCF)c(F)c2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32

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
SCHEMBL18310422 1.00 NPC1 (0.32) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL19829089 0.88 RARB (0.37) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310417 0.87 CNR1 (0.33) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310484 0.85 ALOX5 (0.35) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310391 0.83 NPC1 (0.36) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310477 0.82 RARB (0.37) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310416 0.81 RARB (0.40) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL18310378 0.81 RARB (0.40) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL9253111 0.81
SCHEMBL18310375 0.80 CNR1 (0.37) NPC1TP53PKMRAB9ASMN1; SMN2

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 NPC1 2169/4885TP53 3715/4885PKM 4290/4885

“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.