SCHEMBL21398201

SCHEMBL21398201

C=C(C)C(=O)OCC(CO)c1ccc(C2CCC(CCCCC)CC2)c(CC)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 2/20 0.32

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
SCHEMBL21398202 0.92 MEN1 (0.32) MEN1MAPTKMT2ATSHR
SCHEMBL19853918 0.91 CYP3A4 (0.33) MEN1MAPTKMT2A
SCHEMBL19855031 0.88 MEN1 (0.32) MEN1MAPTKMT2A
SCHEMBL19854239 0.85 CYP2C9 (0.40) MEN1MAPTKMT2ATSHR
SCHEMBL19853932 0.85 TSHR (0.31) TSHR
SCHEMBL20882716 0.85 MEN1 (0.30) MEN1MAPTKMT2A
SCHEMBL20882919 0.85 CYP2C9 (0.39) MEN1MAPTKMT2ATSHR
SCHEMBL19855990 0.84 CYP3A4 (0.31) —
SCHEMBL19853926 0.84 S1PR1 (0.33) —
SCHEMBL21398728 0.83 CYP2C9 (0.38) MEN1MAPTKMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 49/4885MAPT 2338/4885KMT2A 2564/4885

“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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