SCHEMBL9609459

SCHEMBL9609459

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RAB9A P51151 1/20 0.51
▸ UCHL1 P09936 3/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ACE P12821 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47

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
SCHEMBL2489313 1.00 HSD17B10 (0.71) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL8395469 1.00 HSD17B10 (0.71) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL6926338 0.97 HSD17B10 (0.67) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL6795956 0.95 HSD17B10 (0.65) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL67044 0.94 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL27877016 0.94 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL67045 0.94 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL85536 0.94 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL6219872 0.94 HSD17B10 (0.69) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1
SCHEMBL20492528 0.92 HSD17B10 (0.68) HSD17B10SMN1; SMN2RAB9AUCHL1NPC1

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-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 — — US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 — — US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 — — 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 HSD17B10 1164/4885SMN1; SMN2 2241/4885RAB9A 4042/4885

“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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