SCHEMBL17490456

SCHEMBL17490456

CCOc1ccc(OCC2CCC(C3CCC(CCC(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
KDM1A O60341 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
RIPK1 Q13546 1/20 0.31
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
SLC6A9 P48067 1/20 0.31
BRD4 O60885 2/20 0.31
PDE4D Q08499 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 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
SCHEMBL17487967 0.92 FFAR1 (0.33) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL17490341 0.82 HTR2A (0.31) HTR2A
SCHEMBL15235985 0.81 KDM1A (0.34) SCN9AKDM1AHCRTR1HCRTR2PDE4D
SCHEMBL17355585 0.81 SCN9A (0.32) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL10021163 0.80 KDM1A (0.32) KDM1AHCRTR1HCRTR2
SCHEMBL6406948 0.79 GAA (0.30)
SCHEMBL6406953 0.79 GAA (0.30)
SCHEMBL6406955 0.79 GAA (0.30)
SCHEMBL19829754 0.79 SCN9A (0.32) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL8448296 0.78 RIPK1 (0.39) KDM1AHTR2AHTR2CHTR2BRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 SCN9A 2880/4885KDM1A 2416/4885HTR2A 2278/4885

“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.