SCHEMBL6390397

SCHEMBL6390397

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 10/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ USP2 O75604 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ NPC1 O15118 1/20 0.67
▸ CYP46A1 Q9Y6A2 1/20 0.57
▸ NR1H3 Q13133 1/20 0.53
▸ ABCC4 O15439 1/20 0.51
▸ VDR P11473 1/20 0.51
▸ HPSE Q9Y251 5/20 0.49
▸ POLA1 P09884 1/20 0.49
▸ CDC25A P30304 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
SCHEMBL6387174 1.00 NPC1L1 (0.73) NPC1L1MEN1USP2LMNATP53
SCHEMBL29354605 0.92 NPC1L1 (0.72) NPC1L1MEN1USP2LMNATP53
SCHEMBL6391409 0.86 NPC1L1 (0.73) NPC1L1MEN1USP2LMNATP53
SCHEMBL7124642 0.86 NPC1L1 (0.73) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL23647982 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL3421500 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14490136 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL21000300 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14360501 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL15935528 0.84 NPC1L1 (1.00) NPC1L1MEN1USP2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004382-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2005-01-06 — — US claimed
EP-0946584-B1 Meiosis regulating compounds NOVO NORDISK AS (DK) 2003-04-23 — — EP claimed
US-20030032824-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2003-02-13 — — US claimed
US-20010005757-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2001-06-28 — — US claimed
EP-0946584-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1999-10-06 — — EP claimed
WO-1998028323-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-02 — — WO claimed
US-20050004382-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2005-01-06 — — US disclosed
US-6759400-B2 Meiosis regulating compounds NOVO NORDISK A/S (DK) 2004-07-06 — — US disclosed
EP-0946584-B1 Meiosis regulating compounds NOVO NORDISK AS (DK) 2003-04-23 — — EP disclosed
US-20030032824-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2003-02-13 — — US disclosed
US-6486145-B2 STEROL DERIVATIVE USEFUL IN TREATMENT OF FERTILITY NOVO NORDISK A/S (DK) 2002-11-26 — — US disclosed
US-20010005757-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2001-06-28 — — US disclosed
EP-0946584-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1999-10-06 — — EP disclosed
WO-1998028323-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-02 — — 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 (3 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-20030032824-A1 Meiosis regulating compounds MNS1, NR5A1, NASP NPC1L1 2280/4885MEN1 231/4885USP2 4505/4885
US-20010005757-A1 Meiosis regulating compounds MNS1, NR5A1, NASP NPC1L1 2280/4885MEN1 231/4885USP2 4505/4885
US-20050004382-A1 Meiosis regulating compounds NASP, MNS1, NR5A1 NPC1L1 2324/4885MEN1 336/4885USP2 4426/4885

“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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