SCHEMBL23988564

SCHEMBL23988564

O=C(O)NCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
USP2 O75604 2/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
LPAR5 Q9H1C0 1/20 0.30

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
SCHEMBL20873151 0.83 KDM4E (0.36) CYP2C19CYP1A2CYP3A4KDM4E
SCHEMBL20873145 0.80 ADRB2 (0.34) CYP2C19CYP1A2CYP3A4
SCHEMBL23988528 0.80 ADRB2 (0.35) CYP2C19CYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL15218995 0.79 KDM4E (0.41) USP2KDM4EHTTALDH1A1
SCHEMBL20873137 0.79 USP2 (0.33) CYP2C19CYP1A2CYP3A4USP2
SCHEMBL10394490 0.79 USP2 (0.57) CYP2C19CYP1A2CYP3A4USP2HTT
SCHEMBL20873139 0.78 SLC22A6 (0.32)
SCHEMBL19660807 0.78 KDM4E (0.40) USP2KDM4EHTTALDH1A1
SCHEMBL15218991 0.78 KDM4E (0.40) USP2KDM4EHTTALDH1A1
SCHEMBL15218975 0.77 KDM4E (0.39) USP2KDM4EHTTALDH1A1LPAR5

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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2021-11-04 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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE EPCAM, ITGA8, CD99 CYP2C19 2302/4885CYP2D6 2756/4885CYP1A2 1429/4885

“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.