SCHEMBL20678564

SCHEMBL20678564

CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)CCCC(C)C)CC[C@H]4[C@@H]3CC(NCCCNCCCCNCCCN)[C@@]2(O)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 9/20 0.56
▸ USP2 O75604 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CDC25A P30304 4/20 0.46
▸ POLA1 P09884 1/20 0.45
▸ VDR P11473 1/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ CXCR1 P25024 1/20 0.41

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
SCHEMBL16163498 1.00 NPC1L1 (0.56) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL14976110 1.00 NPC1L1 (0.56) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL20678563 1.00 NPC1L1 (0.56) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL14976353 0.99 NPC1L1 (0.57) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL16163587 0.99 NPC1L1 (0.57) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL14977053 0.99 NPC1L1 (0.56) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL16163916 0.99 NPC1L1 (0.56) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL16163915 0.96 NPC1L1 (0.59) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL14976569 0.96 NPC1L1 (0.59) NPC1L1USP2NPC1MEN1LMNA
SCHEMBL14975989 0.96 NPC1L1 (0.59) NPC1L1USP2NPC1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 — — US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 — — 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 (2 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 NPC1L1 637/4885USP2 2518/4885NPC1 146/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NPC1L1 637/4885USP2 2518/4885NPC1 146/4885

“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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