SCHEMBL13827672

SCHEMBL13827672

CCC(C)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ UCHL1 P09936 1/20 0.43

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
SCHEMBL5411482 0.85 HSD17B10 (0.57) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL5411479 0.85 HSD17B10 (0.57) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL13819936 0.85 HSD17B10 (0.57) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL29055986 0.83 POLB (0.45) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL28854901 0.82 POLB (0.53) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL12158537 0.81 HSD17B10 (0.52) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL15113629 0.81 HSD17B10 (0.52) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL5743165 0.81 HSD17B10 (0.52) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL10031609 0.80 HSD17B10 (0.57) POLBHSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL903389 0.80 HSD17B10 (0.57) POLBHSD17B10SMN1; SMN2NPC1KMT2A

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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 POLB 4763/4885HSD17B10 2765/4885SMN1; SMN2 1025/4885

“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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