SCHEMBL425527

SCHEMBL425527

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
PDE4A P27815 3/20 0.32
PDE4D Q08499 3/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 2/20 0.31
CYP1A2 P05177 2/20 0.31
TNF P01375 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 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
SCHEMBL2509893 0.95 FPR2 (0.33) SCN9AHTR1DHTR1BHTR2CHTR2B
SCHEMBL426936 0.93 SCN9A (0.33) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL1243195 0.90 HTR2A (0.33) HTR2CHTR2BHTR2AFPR2
SCHEMBL2511031 0.85 FPR2 (0.35) HTR2AFPR2
SCHEMBL14922527 0.84 SCN9A (0.42) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL11894899 0.83 KDM1A (0.30)
SCHEMBL425191 0.82 SCN9A (0.40) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL1242503 0.82 L3MBTL1 (0.41) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL14922537 0.82 L3MBTL1 (0.41) SCN9APDE4APDE4DPDE4BPDE4C
SCHEMBL12733587 0.81 GAA (0.34) MAPTMEN1KMT2A

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-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 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

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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 SCN9A 1649/4885PDE4A 1809/4885PDE4D 690/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 SCN9A 2679/4885PDE4A 3424/4885PDE4D 2734/4885

“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.