SCHEMBL20374644

SCHEMBL20374644

C=CC(=O)NCCC[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]32)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CDC25A P30304 3/20 0.56
▸ POLA1 P09884 1/20 0.56
▸ INPP5D Q92835 1/20 0.56
▸ CCR1 P32246 2/20 0.54
▸ CD4 P01730 2/20 0.54
▸ VDR P11473 3/20 0.51
▸ CASP7 P55210 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ GPBAR1 Q8TDU6 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ MDM4 O15151 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSPD1 P10809 1/20 0.51

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
SCHEMBL20370394 1.00 CYP2D6 (0.57) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20374720 0.91 CYP2C19 (0.60) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20370391 0.91 CYP2C19 (0.60) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL19853980 0.90 POLA1 (0.45) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20370395 0.88 CYP2D6 (0.57) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20374711 0.88 CYP2D6 (0.57) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL10806748 0.85 CDC25A (0.67) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23635434 0.85 CYP2D6 (0.62) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20374506 0.85 CYP2D6 (0.62) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL20370396 0.85 CYP2D6 (0.62) CYP2D6CYP2C19CDC25APOLA1INPP5D

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 3 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

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 CYP2D6 2929/4885CYP2C19 3178/4885CDC25A 146/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 CYP2D6 2929/4885CYP2C19 3178/4885CDC25A 146/4885

“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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