SCHEMBL19722559

SCHEMBL19722559

C=C(CO)C(=O)OCCCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 7/20 0.34
▸ CHRM5 P08912 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ CHRM3 P20309 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ PANK3 Q9H999 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
SCHEMBL19722115 0.89 CYP2C9 (0.33) OPRL1CYP2C9S1PR1
SCHEMBL19722571 0.89 CYP2C9 (0.33) OPRL1CYP2C9S1PR1
SCHEMBL19721885 0.89 CYP2C9 (0.33) OPRL1CYP2C9S1PR1
SCHEMBL19722570 0.88 CYP3A4 (0.31) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL19722071 0.87 CYP2C9 (0.33) OPRL1CYP2C9S1PR1
SCHEMBL19722406 0.87 CYP2C9 (0.33) OPRL1CYP2C9S1PR1
SCHEMBL19722034 0.86 SPHK1 (0.42) —
SCHEMBL19855458 0.85 GPR139 (0.33) OPRL1
SCHEMBL19722414 0.85 SPHK1 (0.42) CYP2C9ITGB3ITGA2B
SCHEMBL19755066 0.85 SPHK1 (0.42) CYP2C9ITGB3ITGA2B

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-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 — — US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 — — US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — 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 (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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 OPRL1 3279/4885CHRM5 459/4885CHRM1 4/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 OPRL1 3111/4885CHRM5 752/4885CHRM1 15/4885

“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.

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