SCHEMBL21398739

SCHEMBL21398739

C=C(CO)C(=O)OCCC(CCOC(=O)C(=C)CO)C1CCC(c2ccc(OCCOc3ccc(CCCCC)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ SPHK1 Q9NYA1 10/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ PLA2G4A P47712 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ SPHK2 Q9NRA0 4/20 0.37

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
SCHEMBL19856120 0.97 RAB9A (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL23635501 0.91 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL20882813 0.90 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL19853937 0.90 MEN1 (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL23635500 0.89 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL19855890 0.88 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL19855174 0.87 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL19854715 0.86 RAB9A (0.43) ALDH1A1LMNARAB9A
SCHEMBL19855182 0.86 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL20882851 0.86 SPHK1 (0.37) SPHK1SPHK2

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 2 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

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 MEN1 49/4885USP2 3563/4885ALDH1A1 3622/4885

“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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