SCHEMBL20374713

SCHEMBL20374713

C=C(C)C(=O)N[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 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ INPP5D Q92835 1/20 0.61
▸ CDC25A P30304 3/20 0.61
▸ POLA1 P09884 1/20 0.61
▸ BCHE P06276 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ FOLH1 Q04609 1/20 0.53
▸ CASP7 P55210 3/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ VDR P11473 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ MDM4 O15151 1/20 0.52

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
SCHEMBL20370390 1.00 CYP2C19 (0.62) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL12279967 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL18541463 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL18541412 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL21206235 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL9580404 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL2553921 0.91 BCHE (0.68) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL23635432 0.87 CYP2D6 (0.62) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL20370396 0.87 CYP2D6 (0.62) CYP2C19CYP2D6INPP5DCDC25APOLA1
SCHEMBL23635434 0.87 CYP2D6 (0.62) CYP2C19CYP2D6INPP5DCDC25APOLA1

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 CYP2C19 3178/4885CYP2D6 2929/4885INPP5D 4162/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 CYP2C19 3178/4885CYP2D6 2929/4885INPP5D 4162/4885

“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.

Send feedback