SCHEMBL19722489

SCHEMBL19722489

C=C(CN(C)C)C(=O)OCCc1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.46
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SPHK2 Q9NRA0 7/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 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
SCHEMBL19721961 0.96 SPHK1 (0.46) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722506 0.94 SPHK1 (0.48) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722153 0.90 CYP2C9 (0.43) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722313 0.89 RAB9A (0.43) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722255 0.89 SPHK1 (0.42) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722091 0.86 SPHK1 (0.44) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19721987 0.86 SPHK1 (0.42) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19722163 0.86 CYP2C9 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19755067 0.86 SPHK1 (0.40) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19721820 0.86 SPHK1 (0.44) SPHK1CYP2C9ALDH1A1LMNAMAPT

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
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 — — EP 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 SPHK1 435/4885CYP2C9 4226/4885ALDH1A1 3882/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 SPHK1 646/4885CYP2C9 4442/4885ALDH1A1 3267/4885

“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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