SCHEMBL7212591

SCHEMBL7212591

NC(CC(=O)O)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL7216308 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL6755360 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL6755363 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL7216466 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL23676922 0.72 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL7305803 0.70 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL29757005 0.70 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL3892236 0.69 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL27432610 0.69 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10089401 0.69 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AL3MBTL1CA12

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-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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 (2 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ALDH1A1 4551/4885MEN1 525/4885KMT2A 4726/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ALDH1A1 4551/4885MEN1 525/4885KMT2A 4726/4885

“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.