SCHEMBL425191

SCHEMBL425191

CCCCOc1ccc(C2CCC(=O)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PPARG P37231 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CRBN Q96SW2 2/20 0.36
LMNA P02545 5/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
TNF P01375 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL2506385 0.95 PTPN1 (0.37) SCN9APPARGLMNAKMT2AMAPT
SCHEMBL429400 0.92 SCN9A (0.38) SCN9APPARGPDE4APDE4DPDE4B
SCHEMBL1243882 0.89 HCRTR2 (0.38) PDE4APDE4DPDE4BPDE4CCRBN
SCHEMBL14922527 0.89 SCN9A (0.42) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL1242503 0.86 L3MBTL1 (0.41) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL14922537 0.86 L3MBTL1 (0.41) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL11917368 0.85 SCN9A (0.35) SCN9AHRH3CRBNKMT2ACA9
SCHEMBL2506935 0.84 HCRTR2 (0.36) PDE4APDE4DPDE4BPDE4CCRBN
SCHEMBL14371074 0.83 SCN9A (0.39) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL12733630 0.83 SCN9A (0.39) SCN9APDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 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 (2 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 SCN9A 2679/4885PPARG 4074/4885PDE4A 3424/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 SCN9A 2704/4885PPARG 4141/4885PDE4A 3506/4885

“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.