SCHEMBL13029372

SCHEMBL13029372

CNC(=O)NCNC(=O)NCNC(=O)NCNC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
EPHX1 P07099 5/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.33
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL13161499 0.97 HSD17B10 (0.41) HSD17B10KEAP1NFE2L2EPHX1KMT2A
SCHEMBL15887292 0.89 ALDH1A1 (0.41) HSD17B10KEAP1NFE2L2EPHX1KMT2A
SCHEMBL17403434 0.89 KDM4E (0.39) HSD17B10KEAP1NFE2L2EPHX1KMT2A
SCHEMBL2616818 0.88
SCHEMBL260170 0.86 KDM4E (0.40) HSD17B10KEAP1NFE2L2KMT2AALDH1A1
SCHEMBL12688267 0.82 EPHX1 (0.39) HSD17B10KEAP1NFE2L2EPHX1KMT2A
SCHEMBL15491602 0.82 KMT2A (0.46) HSD17B10KEAP1NFE2L2KMT2ARECQL
SCHEMBL19172568 0.81 KEAP1 (0.47) HSD17B10KEAP1NFE2L2EPHX1KMT2A
SCHEMBL13236970 0.80 HSD17B10 (0.33) HSD17B10KEAP1NFE2L2
SCHEMBL17758509 0.80 HSD17B10 (0.33) HSD17B10KEAP1NFE2L2MTNR1A

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-20160002557-A1 PROCESS FOR PREPARING A UREA GREASE SHELL OIL COMPANY 2016-01-07 US disclosed
US-8304570-B2 Prepolymer for biomedical materials OUYANG YUN LIANG (TW) 2012-11-06 US disclosed
US-20100286428-A1 PREPOLYMER FOR BIOMEDICAL MATERIALS OUYANG YUN LIANG 2010-11-11 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-20100286428-A1 PREPOLYMER FOR BIOMEDICAL MATERIALS ALG3, MATR3, COL1A1 HSD17B10 2806/4885KEAP1 3091/4885NFE2L2 3084/4885

“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.