SCHEMBL21093003

SCHEMBL21093003

OCC(CO)(CO)NC[C@@H](O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.62
▸ DNM1 Q05193 9/20 0.60
▸ HRH1 P35367 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.57
▸ PER2 O15055 1/20 0.56
▸ CRY1 Q16526 1/20 0.56
▸ CRY2 Q49AN0 1/20 0.56
▸ SLC2A1 P11166 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL12858712 0.86 KDM4E (0.61) DNM1PER2CRY1CRY2RAB9A
SCHEMBL21093044 0.80 RAD52 (0.53) DNM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30645225 0.80 DNM1 (0.61) DNM1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21093026 0.80 RAD52 (0.53) DNM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21093337 0.80 RAD52 (0.53) DNM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21093057 0.80 RAD52 (0.53) DNM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14889275 0.78 BACE1 (1.00) BACE1DNM1PER2
SCHEMBL12858681 0.77 DNM1 (0.67) BACE1DNM1KDM4EALDH1A1
SCHEMBL14578715 0.77 BACE1 (0.81) BACE1DNM1HRH1HRH4PER2
SCHEMBL408965 0.75 DNM1 (1.00) BACE1DNM1HRH1HRH4PER2

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-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-11 — — 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-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof CLPP, ATP5ME, PCNA BACE1 3790/4885DNM1 290/4885HRH1 2867/4885

“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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