SCHEMBL1542632

SCHEMBL1542632

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.61
CTSD P07339 1/20 0.55
NPC1L1 Q9UHC9 3/20 0.44
NR1H3 Q13133 2/20 0.44
DHCR24 Q15392 1/20 0.44
SRD5A1 P18405 3/20 0.44
OSBP P22059 3/20 0.44
RORC P51449 2/20 0.44
LMNA P02545 1/20 0.44
ABCB1 P08183 1/20 0.44
OSBP2 Q969R2 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
CYP17A1 P05093 1/20 0.42
SRD5A2 P31213 1/20 0.42
ST6GAL1 P15907 1/20 0.42
ST3GAL1 Q11201 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42

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
SCHEMBL12436829 0.89 OSBP (0.59) USP2NPC1L1NR1H3DHCR24OSBP
SCHEMBL2448736 0.87 NPC1L1 (0.55) USP2NPC1L1LMNACYP17A1ST6GAL1
SCHEMBL17693794 0.83 OSBP (0.60) USP2NPC1L1NR1H3DHCR24OSBP
SCHEMBL1542841 0.83 ATIC (0.48) USP2NPC1L1OSBPRORCLMNA
SCHEMBL16506704 0.83 ATIC (0.48) USP2NPC1L1OSBPRORCLMNA
SCHEMBL17696316 0.80 OSBP (0.63) USP2NPC1L1NR1H3DHCR24OSBP
SCHEMBL4142848 0.77 POLA1 (0.54) USP2NPC1L1NR1H3DHCR24OSBP
Cholest-5-En-3-One SCHEMBL20597931 0.77 USP2 (1.00) USP2CTSDNR1H3SRD5A1OSBP
Cholest-5-En-3-One SCHEMBL13255128 0.77 USP2 (1.00) USP2CTSDNR1H3SRD5A1OSBP
Cholest-5-En-3-One SCHEMBL15482076 0.77 USP2 (1.00) USP2CTSDNR1H3SRD5A1OSBP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307438-B1 CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2018-03-07 EP disclosed
US-9447140-B2 Cholest-4-en-3-one oxime derivatives, pharmaceutical compositions containing same, and preparation method TROPHOS (FR) 2016-09-20 US disclosed
US-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2011-09-15 US disclosed
EP-2307438-A2 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD Trophos (FR) 2011-04-13 EP disclosed
WO-2010012904-A2 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD TROPHOS (FR) 2010-02-04 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-20110224180-A1 NOVEL CHOLEST-4-EN-3-ONE OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND PREPARATION METHOD NR1H3, NR1H2, CYP27A1 USP2 2006/4885CTSD 2967/4885NPC1L1 22/4885

“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.