SCHEMBL6926338

SCHEMBL6926338

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ UCHL1 P09936 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ HSD11B1 P28845 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ ACE P12821 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6795956 0.99 HSD17B10 (0.65) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL9609459 0.97 HSD17B10 (0.71) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL2489313 0.97 HSD17B10 (0.71) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL8395469 0.97 HSD17B10 (0.71) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL65491 0.93 HSD17B10 (0.63) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL65490 0.93 HSD17B10 (0.63) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL77858 0.93 HSD17B10 (0.63) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL18358031 0.91 HSD17B10 (0.62) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL222955 0.91 HSD17B10 (0.62) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1
SCHEMBL5898691 0.91 HSD17B10 (0.62) HSD17B10SMN1; SMN2UCHL1RAB9ANPC1

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 — — US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 — — WO 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI HSD17B10 1231/4885SMN1; SMN2 4400/4885UCHL1 3894/4885

“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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