SCHEMBL13199602

SCHEMBL13199602

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KLK7 P49862 1/20 0.39
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
HCRTR2 O43614 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
SCHEMBL29013071 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL25765834 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL2960161 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL24411299 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL142417 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL375444 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL144302 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL12979137 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL29013041 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL29013072 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMEN1KMT2A

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-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

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-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG ALDH1A1 1002/4885HSD17B10 209/4885TSHR 408/4885

“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.