SCHEMBL19854925

SCHEMBL19854925

C=C(C)C(=O)N(C)c1ccc(C2CCC(CCC)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ESR2 Q92731 3/20 0.38
▸ POLQ O75417 1/20 0.37
▸ ESR1 P03372 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ DGAT1 O75907 3/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ HSD17B1 P14061 1/20 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
SCHEMBL19854933 0.91 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854928 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19853893 0.88 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19856043 0.88 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19856037 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19853905 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19856035 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19855993 0.83 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854924 0.82 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854991 0.79 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1

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 5 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-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 — — US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 — — US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 — — 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 (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-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, MBD2, PAXBP1 CYP2C9 3761/4885ALDH1A1 3826/4885LMNA 1840/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 CYP2C9 3761/4885ALDH1A1 3826/4885LMNA 1840/4885

“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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