SCHEMBL19853918

SCHEMBL19853918

C=C(C)C(=O)OCC(CO)c1ccc(CCc2ccc(C3CCC(CCCCC)CC3)c(CC)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARG P37231 3/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 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
SCHEMBL19855990 0.93 CYP3A4 (0.31) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL21398201 0.91 MEN1 (0.33) MEN1MAPTKMT2A
SCHEMBL19854098 0.89 ITGB3 (0.33) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL19854232 0.87 THRB (0.36) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL19854246 0.86 CYP3A4 (0.33) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL20882414 0.86 PPARG (0.31) ITGB3ITGA2BPPARG
SCHEMBL19853926 0.86 S1PR1 (0.33) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL21398202 0.84 MEN1 (0.32) MEN1MAPTKMT2A
SCHEMBL19854239 0.83 CYP2C9 (0.40) CYP2C9MEN1MAPTKMT2A
SCHEMBL19854236 0.83 CYP3A4 (0.32) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19

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 3 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-09-26 — — US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, PYM1, MPEG1 CYP3A4 2111/4885CYP2C8 4071/4885CYP2D6 4241/4885

“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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