SCHEMBL1312201

SCHEMBL1312201

C#CCC[C@@]1(C)C(=NO)CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.58
▸ FNTB P49356 5/20 0.58
▸ SRD5A1 P18405 6/20 0.48
▸ SRD5A2 P31213 3/20 0.48
▸ NPC1L1 Q9UHC9 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ INPP5D Q92835 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ OSBP P22059 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ OSBP2 Q969R2 1/20 0.45
▸ CYP46A1 Q9Y6A2 1/20 0.45
▸ CDC25A P30304 2/20 0.44

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
SCHEMBL1311779 0.95 FNTA (0.57) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1311780 0.95 FNTA (0.57) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1311124 0.91 FNTA (0.58) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1312495 0.89 FNTA (0.64) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL16506074 0.89 FNTA (0.61) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL16506250 0.89 FNTA (0.64) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL16506072 0.89 FNTA (0.61) FNTAFNTBSRD5A1SRD5A2NPC1L1
Tro-40303 SCHEMBL16506096 0.88 FNTA (0.60) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL16505686 0.88 FNTA (0.60) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1312159 0.88 FNTA (0.60) FNTAFNTBSRD5A1SRD5A2NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275680-A1 NOXEL OXIME DERIVATIVES OF 3, 5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2011-11-10 — — US claimed
EP-2370071-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME Trophos (FR) 2011-10-05 — — EP claimed
WO-2010076418-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2010-07-08 — — WO claimed
US-9115059-B2 Oxime derivatives of 3,5-seco-4-nor-cholestane, pharmaceutical compositions containing same, and method for preparing same TROPHOS (FR) 2015-08-25 — — US disclosed
US-20110275680-A1 NOXEL OXIME DERIVATIVES OF 3, 5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2011-11-10 — — US disclosed
EP-2370071-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME Trophos (FR) 2011-10-05 — — EP disclosed
WO-2010076418-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2010-07-08 — — 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-20110275680-A1 NOXEL OXIME DERIVATIVES OF 3, 5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME NR1H2, NR1H3, NOX3 FNTA 737/4885FNTB 968/4885SRD5A1 24/4885

“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.

Send feedback