SCHEMBL19722570

SCHEMBL19722570

C=C(CO)C(=O)OCCCc1ccc(C2CCC(C3CCC4CC(C5CCC(CCCCC)CC5)CCC4C3)CC2)c(CC)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL19722559 0.88 OPRL1 (0.34) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL19722175 0.86 CYP2C9 (0.34) CYP3A4CYP2C8CYP2C9S1PR3KMT2A
SCHEMBL19722380 0.85 CNR2 (0.36) ITGB3ITGA2B
SCHEMBL19722404 0.85 FFAR4 (0.37) CYP2C9S1PR3
SCHEMBL19755066 0.84 SPHK1 (0.42) CYP2C9ITGB3ITGA2B
SCHEMBL19722414 0.84 SPHK1 (0.42) CYP2C9ITGB3ITGA2B
SCHEMBL19722022 0.84 FFAR4 (0.42) —
SCHEMBL19722420 0.83 SPHK1 (0.41) CYP2C9ITGB3ITGA2B
SCHEMBL19722247 0.82 CYP2C9 (0.31) CYP2C9
SCHEMBL19722539 0.82 CNR2 (0.38) ITGB3ITGA2B

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-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
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 CYP3A4 2747/4885CYP2C8 3586/4885CYP2D6 3842/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 CYP3A4 3484/4885CYP2C8 3904/4885CYP2D6 4325/4885

“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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