SCHEMBL333146

SCHEMBL333146

CCOC(=O)Cn1ncnn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
PIN1 Q13526 1/20 0.39
PIN4 Q9Y237 1/20 0.39

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
SCHEMBL3938886 0.81 POLB (0.49) POLBHSD17B10ALDH1A1SMN1; SMN2TSHR
SCHEMBL315410 0.77 HSD17B10 (0.49) PKMATMHSD17B10MAPK1GSK3A
SCHEMBL30343547 0.75 ALDH1A1 (0.42) POLBALDH1A1
SCHEMBL11110430 0.69 GSK3A (0.48) PKMATMHSD17B10MAPK1GSK3A
SCHEMBL10633527 0.69 HSD17B10 (0.61) POLBPKMATMHSD17B10MAPK1
SCHEMBL314952 0.68 MAPK1 (0.44) PKMATMHSD17B10MAPK1GSK3A
SCHEMBL15706622 0.68 HSD17B10 (0.69) PKMATMHSD17B10MAPK1GSK3A
SCHEMBL2362473 0.68 CYP1A2 (0.46) POLBMAPK1GSK3AGSK3BALDH1A1
SCHEMBL333135 0.68 PKM (0.47) PKMATMHSD17B10MAPK1GSK3A
SCHEMBL28604654 0.67 HSD17B10 (0.54) PKMATMHSD17B10MAPK1GSK3A

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-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS POLB 2520/4885PKM 761/4885ATM 4413/4885

“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.