SCHEMBL426306

SCHEMBL426306

CCCCOc1ccc(C2(O)CCC(C3CCC4(CC3)OCCO4)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CA9 Q16790 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL2211908 0.91 ALDH1A1 (0.37) GPR119ALDH1A1TSHRTRPV3
SCHEMBL425880 0.90 S1PR5 (0.38) GPR119S1PR5S1PR1ALDH1A1USP2
SCHEMBL2931710 0.83 S1PR5 (0.34) S1PR5S1PR1
SCHEMBL2878291 0.83 ALDH1A1 (0.35) ALDH1A1USP2MAPTTSHRTRPV3
SCHEMBL14922515 0.81 GPR119 (0.34) GPR119S1PR5S1PR1ALDH1A1USP2
SCHEMBL421950 0.81 SCN9A (0.34) S1PR5S1PR1
SCHEMBL1243493 0.80 ALDH1A1 (0.40) S1PR5S1PR1ALDH1A1USP2MAPT
SCHEMBL1574521 0.79 S1PR5 (0.39) S1PR5S1PR1CA9
SCHEMBL424339 0.78 GPR119 (0.36) GPR119S1PR5S1PR1ALDH1A1USP2
SCHEMBL1243209 0.78 S1PR5 (0.34) S1PR5S1PR1TSHR

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 GPR119 4269/4885S1PR5 682/4885S1PR1 1230/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 GPR119 3881/4885S1PR5 1900/4885S1PR1 1699/4885

“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.