SCHEMBL11025636

SCHEMBL11025636

CCCCOC1CCC(c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HCRTR2 O43614 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 2/20 0.33
ACACB O00763 3/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
PPARD Q03181 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL19199307 0.96 SCN9A (0.34) SCN9AL3MBTL1HCRTR2CYP1A2CYP2D6
SCHEMBL11025874 0.95 FPR2 (0.35) SCN9AL3MBTL1HCRTR2CYP1A2CYP2D6
SCHEMBL14766949 0.93 ALOX5AP (0.34) SCN9AHCRTR2
SCHEMBL16071924 0.92 SCN9A (0.36) SCN9AL3MBTL1HCRTR2HTR1DHTR1B
SCHEMBL14765710 0.92 SCN9A (0.38) SCN9AL3MBTL1HCRTR2CYP1A2CYP2C19
SCHEMBL14766551 0.92 NAAA (0.36) SCN9AHCRTR2
SCHEMBL14767033 0.92 NAAA (0.36) SCN9AHCRTR2
SCHEMBL14922537 0.92 L3MBTL1 (0.41) SCN9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL1242503 0.92 L3MBTL1 (0.41) SCN9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10021270 0.89 GAA (0.32) SCN9AHCRTR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484658-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-12-06 EP disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
EP-2484658-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-08-08 EP disclosed
EP-2484658-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-08-08 EP disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
WO-2011040373-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-04-07 WO 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-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME H1-0, EFHD2, CCND2 SCN9A 401/4885L3MBTL1 1185/4885HCRTR2 772/4885

“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.