SCHEMBL19854535

SCHEMBL19854535

C=C(C)C(=O)NC1CCC(/C=C/C2CCC(CCCCC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ TLR4 O00206 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ EPHX1 P07099 8/20 0.34
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL19854394 0.96 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19854399 0.96 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19854533 0.90 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19853979 0.90 TP53 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19855972 0.88 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19853805 0.86 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19854391 0.86 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19855984 0.86 TP53 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19854554 0.83 ZDHHC20 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL19854401 0.80 ZDHHC20 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19MEN1

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 CYP1A2 1682/4885CYP2D6 2929/4885CYP2C9 3761/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 CYP1A2 1682/4885CYP2D6 2929/4885CYP2C9 3761/4885

“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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