SCHEMBL8932615

SCHEMBL8932615

CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.36
FFAR4 Q5NUL3 2/20 0.36
DGAT1 O75907 1/20 0.35
NAAA Q02083 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FPR2 P25090 1/20 0.33
S1PR1 P21453 2/20 0.33

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
SCHEMBL8960361 0.97 OPRL1 (0.34) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL13666233 0.96 FFAR4 (0.39) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL8934276 0.94 OPRL1 (0.35) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934124 0.93 OPRL1 (0.34) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL13263149 0.93 OPRL1 (0.34) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL8934233 0.93 S1PR1 (0.36) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934081 0.92 OPRL1 (0.34) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934342 0.92 OPRL1 (0.34) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL8934063 0.91 NAAA (0.37) OPRL1FFAR4DGAT1NAAAGRIN1
SCHEMBL8934318 0.91 PTPN11 (0.35) OPRL1FFAR4DGAT1FPR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 OPRL1 2818/4885FFAR4 342/4885DGAT1 2994/4885

“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.