SCHEMBL2858683

SCHEMBL2858683

CCCCCCCC1CCC(O)(c2cccc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.45
OPRM1 P35372 4/20 0.45
OPRK1 P41145 4/20 0.45
OPRD1 P41143 2/20 0.41
GRM2 Q14416 1/20 0.40
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 3/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 2/20 0.36
NR5A2 O00482 1/20 0.35

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
SCHEMBL1812661 0.99 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1GRM2
SCHEMBL1252622 0.91 OPRL1 (0.45) OPRL1OPRM1OPRK1OPRD1GRM2
SCHEMBL2856214 0.89 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1SLC6A4
SCHEMBL9013683 0.89 SLC6A2 (0.41) OPRL1OPRM1OPRK1OPRD1GRM2
SCHEMBL8765866 0.87 GRM2 (0.41) OPRL1OPRM1OPRK1GRM2SLC6A4
SCHEMBL8766445 0.87 GRM2 (0.41) OPRL1OPRM1OPRK1GRM2SLC6A4
SCHEMBL8766453 0.87 GRM2 (0.41) OPRL1OPRM1OPRK1GRM2SLC6A4
SCHEMBL8767227 0.85 SLC6A4 (0.42) OPRL1OPRM1OPRK1GRM2SLC6A4
SCHEMBL7859980 0.85 OPRM1 (0.36) OPRL1OPRM1OPRK1OPRD1SLC6A3
SCHEMBL11617618 0.82 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP 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-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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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 2818/4885OPRM1 3317/4885OPRK1 2208/4885

“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.