SCHEMBL13006885

SCHEMBL13006885

CC(C)(C)N1CCC(C(=O)NCC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ BBOX1 O75936 1/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ HIF1AN Q9NWT6 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL13006890 0.84 ITGB3 (0.48) HSD17B10SMN1; SMN2ITGB3ITGA2B
SCHEMBL13006886 0.81 GAA (0.49) HSD17B10KDM4EHTTALDH1A1
SCHEMBL13621109 0.81 ITGB3 (0.43) HSD17B10SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL13006883 0.80 KDM4E (0.51) HSD17B10SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL1653856 0.78 KMT2A (0.50) HSD17B10SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL8016072 0.77 RXFP1 (0.43) HSD17B10SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL13006872 0.77 KDM4E (0.46) HSD17B10SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL12139854 0.76 HSD17B10 (0.49) HSD17B10SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL21569640 0.76 HSD17B10 (0.54) HSD17B10SMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL13006880 0.76 NPSR1 (0.67) ALDH1A1NPSR1

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-20100310535-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-09 — — 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-20100310535-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES HSD17B10 1336/4885SMN1; SMN2 457/4885KDM4E 2378/4885

“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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