SCHEMBL21298936

SCHEMBL21298936

C=C(CO)C(=O)OCCO[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 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.69
▸ POLA1 P09884 1/20 0.69
▸ FOLH1 Q04609 2/20 0.56
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ INPP5D Q92835 1/20 0.54
▸ VDR P11473 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ST6GAL1 P15907 2/20 0.52
▸ ABCC4 O15439 1/20 0.51
▸ HPSE Q9Y251 2/20 0.49

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
SCHEMBL19722249 1.00 CDC25A (0.69) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL21298981 0.91 CDC25A (0.66) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL21322100 0.91 CDC25A (0.66) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL19755104 0.91 CDC25A (0.66) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL19722604 0.91 CDC25A (0.66) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL23635620 0.90 CDC25A (0.67) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL20882353 0.90 CDC25A (0.67) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL19856318 0.90 CDC25A (0.67) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL21398485 0.90 CDC25A (0.67) CDC25APOLA1FOLH1CYP2D6CYP2C19
SCHEMBL19854980 0.90 CDC25A (0.55) CDC25APOLA1FOLH1CYP2D6CYP2C19

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 2 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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 — — 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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 CDC25A 105/4885POLA1 1041/4885FOLH1 4469/4885

“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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