SCHEMBL2962701

SCHEMBL2962701

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
KLK7 P49862 1/20 0.38
EPHX1 P07099 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN4A P35499 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN3A Q9NY46 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL13199587 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10SMN1; SMN2NPC1KLK7
SCHEMBL375503 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL2954122 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL820473 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL5560650 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL24411297 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL29819835 0.93 EPHX1 (0.36) ALDH1A1HSD17B10SMN1; SMN2KLK7EPHX1
SCHEMBL22980251 0.82 CHRM2 (0.35) ALDH1A1HSD17B10SMN1; SMN2EPHX1
SCHEMBL21451437 0.81 NPC1 (0.42) ALDH1A1HSD17B10SMN1; SMN2NPC1KLK7
SCHEMBL30743002 0.80 KLK7 (0.43) ALDH1A1HSD17B10NPC1KLK7KMT2A

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-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 1051/4885HSD17B10 133/4885SMN1; SMN2 886/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG ALDH1A1 1002/4885HSD17B10 209/4885SMN1; SMN2 645/4885

“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.