SCHEMBL424339

SCHEMBL424339

CCCCOc1ccc(C2CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
PDE10A Q9Y233 9/20 0.36
SCN9A Q15858 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
HTR2B P41595 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN1A P35498 1/20 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
SCHEMBL10010236 0.95 GPR119 (0.37) GPR119PDE10ATRPV3ALDH1A1USP2
SCHEMBL14922515 0.93 GPR119 (0.34) GPR119PDE10ASCN9AALDH1A1USP2
SCHEMBL1243985 0.90 PDE10A (0.38) GPR119PDE10ATRPV3ALDH1A1MAPT
SCHEMBL421310 0.88 PDE10A (0.31) GPR119PDE10A
SCHEMBL11917372 0.87 PDE10A (0.33) GPR119PDE10ATRPV3S1PR1
SCHEMBL2509026 0.85 PDE10A (0.38) PDE10ATRPV3ALDH1A1MAPTTSHR
SCHEMBL14922527 0.84 SCN9A (0.42) SCN9AALDH1A1MAPTHTR1DHTR1B
SCHEMBL4861841 0.83 ALDH1A1 (0.35) PDE10ATRPV3ALDH1A1TSHRCHRM1
SCHEMBL14765748 0.83 GPR119 (0.39) GPR119PDE10AALDH1A1USP2HTR2B
SCHEMBL1242503 0.82 L3MBTL1 (0.41) SCN9AALDH1A1MAPTTSHRHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 GPR119 3881/4885PDE10A 2915/4885SCN9A 2679/4885

“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.