SCHEMBL425880

SCHEMBL425880

CCCCOc1ccc(C2(O)CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.38
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 4/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CA9 Q16790 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPK1 P28482 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CYP1A2 P05177 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1243493 0.90 ALDH1A1 (0.40) S1PR5S1PR1ALDH1A1USP2MAPT
SCHEMBL426306 0.90 GPR119 (0.35) S1PR5S1PR1ALDH1A1USP2MAPT
SCHEMBL2507025 0.85 ALDH1A1 (0.38) ALDH1A1MAPTTSHRPDE10AKCNH2
SCHEMBL1574521 0.83 S1PR5 (0.39) S1PR5S1PR1CA9HRH3CYP1A2
SCHEMBL14765744 0.83 PDK2 (0.36) ALDH1A1USP2GPR119MAPK1HRH3
SCHEMBL28026003 0.80 S1PR5 (0.39) S1PR5S1PR1CA9LMNARXRA
SCHEMBL2211908 0.80 ALDH1A1 (0.37) ALDH1A1TSHRGPR119LMNAHTT
SCHEMBL424339 0.76 GPR119 (0.36) S1PR5S1PR1ALDH1A1USP2MAPT
SCHEMBL1243209 0.75 S1PR5 (0.34) S1PR5S1PR1TSHRCYP1A2LMNA
SCHEMBL10091332 0.74 PDE10A (0.32) ALDH1A1MAPTPDE10A

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 S1PR5 682/4885S1PR1 1230/4885ALDH1A1 2333/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 S1PR5 1900/4885S1PR1 1699/4885ALDH1A1 1435/4885

“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.