SCHEMBL1254871

SCHEMBL1254871

CCCCCC1COC(C2CCC(c3ccc(C4CCC5(CC4)OCCO5)c(F)c3)CC2)OC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR1 P21453 2/20 0.31
SGPL1 O95470 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
SCHEMBL1253846 0.89 OPRL1 (0.40) OPRL1CYP3A4CYP2C8S1PR3S1PR1
SCHEMBL1818096 0.88 OPRL1 (0.42) OPRL1CYP3A4CYP2C8S1PR3S1PR1
SCHEMBL731637 0.88 OPRL1 (0.40) OPRL1CYP3A4CYP2C8S1PR3
SCHEMBL1815358 0.85 OPRL1 (0.33) OPRL1CYP3A4CYP2C8S1PR3S1PR1
SCHEMBL1253870 0.85 CYP3A4 (0.33) CYP3A4CYP2C8S1PR3S1PR1SGPL1
SCHEMBL16326147 0.84 OPRL1 (0.32) OPRL1
SCHEMBL1254011 0.84 GRM2 (0.33) OPRL1
SCHEMBL12917839 0.82 OPRL1 (0.33) OPRL1
SCHEMBL1253730 0.82 CYP3A4 (0.31) CYP3A4CYP2C8S1PR3
SCHEMBL1255209 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
EP-2284148-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-16 EP disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 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-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 OPRL1 721/4885CYP3A4 449/4885CYP2C8 935/4885

“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.