SCHEMBL3042923

SCHEMBL3042923

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 4/20 0.62
▸ SRD5A1 P18405 7/20 0.56
▸ SRD5A2 P31213 3/20 0.56
▸ FNTA P49354 4/20 0.56
▸ FNTB P49356 4/20 0.56
▸ USP2 O75604 3/20 0.55
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ INPP5D Q92835 1/20 0.49

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
SCHEMBL3042515 1.00 NPC1L1 (0.62) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL3042519 1.00 NPC1L1 (0.62) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL6389282 0.89 NPC1L1 (0.58) NPC1L1FNTAFNTB
SCHEMBL6389278 0.89 NPC1L1 (0.58) NPC1L1FNTAFNTB
SCHEMBL2637542 0.83 NPC1L1 (0.66) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL2637544 0.83 NPC1L1 (0.66) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL3824442 0.81 NPC1L1 (0.72) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL6393696 0.81 NPC1L1 (0.72) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL6388577 0.81 NPC1L1 (0.72) NPC1L1SRD5A1SRD5A2FNTAFNTB
SCHEMBL17817392 0.81 NPC1L1 (0.72) NPC1L1SRD5A1SRD5A2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575138-B2 Method for providing neuroprotection TROPHOS (FR) 2013-11-05 — — US disclosed
US-8354395-B2 Method for providing neuroprotection from spinal muscular atrophy TROPHOS (FR) 2013-01-15 — — US disclosed
US-20120316141-A1 METHOD FOR PROVIDING NEUROPROTECTION FROM SPINAL MUSCULAR ATROPHY TROPHOS (FR) 2012-12-13 — — US disclosed
US-20120309721-A1 METHOD FOR PROVIDING NEUROPROTECTION TROPHOS (FR) 2012-12-06 — — US disclosed
US-8283341-B2 Use as medicaments of derivatives of cholest-4-en-3-one, pharmaceutical compositions containing them, novel derivatives and their preparation process TROPHOS (FR) 2012-10-09 — — US disclosed
EP-1601363-B1 USE OF DERIVATIVES OF CHOLEST-4-EN-3-ONE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, NOVEL DERIVATIVES AND PREPARATION METHOD THEREOF TROPHOS (FR) 2012-06-20 — — EP disclosed
US-7858603-B2 neuroprotectants such as 1,4-cholestadien-3-one oxime, used for the treatment of neurodegenerative diseases TROPHOS (FR) 2010-12-28 — — US disclosed
US-20100216752-A1 USE AS MEDICAMENTS OF DERIVATIVES OF CHOLEST-4-EN-3-ONE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, NOVEL DERIVATIVES AND THEIR PREPARATION PROCESS TROPHOS (FR) 2010-08-26 — — US disclosed
US-20060217358-A1 Use of derivatives of cholest-4-en-3-one as medicaments, pharmaceutical compositions containing same, novel derivatives and preparation method thereof TROPHOS (FR) 2006-09-28 — — 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 (4 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-20100216752-A1 USE AS MEDICAMENTS OF DERIVATIVES OF CHOLEST-4-EN-3-ONE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, NOVEL DERIVATIVES AND THEIR PREPARATION PROCESS CYP27A1, NLN, NPC1 NPC1L1 25/4885SRD5A1 485/4885SRD5A2 407/4885
US-20120309721-A1 METHOD FOR PROVIDING NEUROPROTECTION BDNF, NLN, DCX NPC1L1 1941/4885SRD5A1 1477/4885SRD5A2 1357/4885
US-20120316141-A1 METHOD FOR PROVIDING NEUROPROTECTION FROM SPINAL MUSCULAR ATROPHY SMN1; SMN2, BDNF, SOD1 NPC1L1 3403/4885SRD5A1 1935/4885SRD5A2 1894/4885
US-20060217358-A1 Use of derivatives of cholest-4-en-3-one as medicaments, pharmaceutical compositions containing same, novel derivatives and preparation method thereof CYP46A1, NR1H4, CYP27A1 NPC1L1 28/4885SRD5A1 34/4885SRD5A2 36/4885

“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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