SCHEMBL5098113

SCHEMBL5098113

Cn1c(SCC2CCCCC2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD11B1 P28845 7/20 0.42
HSD17B1 P14061 1/20 0.38
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
VCP P55072 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL5104691 0.85 HSD11B1 (0.50) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL2667476 0.80 MEN1 (0.53) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5098089 0.80 HSD11B1 (0.45) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5095918 0.75 HSD11B1 (0.51) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL14277204 0.75 MAPK1 (0.49) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5092143 0.73 HSD11B1 (0.62) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5098689 0.73 MAPK1 (0.45) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5092083 0.72 MEN1 (0.48) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5098587 0.72 MAPK1 (0.47) ALDH1A1MAPK1MEN1KMT2AHSD11B1
SCHEMBL5095870 0.72 HSD11B1 (0.48) ALDH1A1MAPK1MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 ALDH1A1 688/4885MAPK1 358/4885MEN1 2285/4885

“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.