SCHEMBL23031135

SCHEMBL23031135

C=C(C)C(=O)NCCCC(=O)OCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.39
▸ DGKA P23743 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL79938 0.84 ACHE (0.34) KDM4E
SCHEMBL29043134 0.83 KDM4E (0.35) KDM4E
SCHEMBL27780836 0.81 CYP1A2 (0.47) EPHX2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL9323713 0.80 GAA (0.46) DGKAMAPTALDH1A1HPGD
SCHEMBL176417 0.80 DGKA (0.42) EPHX2DGKACYP1A2MAPTALDH1A1
SCHEMBL19528803 0.79 CYP1A2 (0.44) EPHX2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8839165 0.78 DGKA (0.52) EPHX2DGKACYP1A2MAPTALDH1A1
SCHEMBL29440665 0.78 THRB (0.35) ALDH1A1
SCHEMBL16754905 0.77 ACHE (0.32) ALDH1A1
SCHEMBL10081657 0.77 ALDH1A1 (0.50) EPHX2DGKACYP1A2CYP3A4CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 — — 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-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 EPHX2 923/4885DGKA 2791/4885CYP1A2 2949/4885

“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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