SCHEMBL1542735

SCHEMBL1542735

CNC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 1/20 0.74
PTPN1 P18031 1/20 0.68
CYP17A1 P05093 5/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 5/20 0.59
CYP3A4 P08684 4/20 0.59
TSHR P16473 4/20 0.59
HSD17B10 Q99714 3/20 0.59
NR3C1 P04150 3/20 0.59
SHBG P04278 3/20 0.59
PGR P06401 3/20 0.59
SERPINA6 P08185 3/20 0.59
AR P10275 3/20 0.59
GPBAR1 Q8TDU6 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
CYP19A1 P11511 2/20 0.59
SNCA P37840 2/20 0.59
CACNA1C Q13936 2/20 0.59

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
4-Cholesten 3-One SCHEMBL25996870 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL55896 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL19506686 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL24151936 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL20094570 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL23452819 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL2600424 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL10308280 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL21176042 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E
4-Cholesten 3-One SCHEMBL1688732 0.90 NPC1L1 (0.79) NPC1L1PTPN1CYP17A1MAPTKDM4E

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 NPC1L1 22/4885PTPN1 2452/4885CYP17A1 328/4885

“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.