SCHEMBL7124642

SCHEMBL7124642

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(O)[C@@]4(O)C[C@@H](OP(=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 13/20 0.73
▸ USP2 O75604 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ NPC1 O15118 1/20 0.67
▸ CDC25A P30304 3/20 0.55
▸ CDC25B P30305 1/20 0.55
▸ POLA1 P09884 1/20 0.49
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FOLH1 Q04609 1/20 0.45

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
SCHEMBL6391409 1.00 NPC1L1 (0.73) NPC1L1USP2LMNAMEN1TP53
SCHEMBL6390397 0.86 NPC1L1 (0.73) NPC1L1USP2LMNAMEN1TP53
SCHEMBL6387174 0.86 NPC1L1 (0.73) NPC1L1USP2LMNAMEN1TP53
SCHEMBL29354605 0.85 NPC1L1 (0.72) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL25277367 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14490136 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL17049790 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL21000300 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14360501 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL15935528 0.84 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032824-A1 Meiosis regulating compounds GRONDAHL CHRISTIAN (DK) 2003-02-13 — — 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 (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-20030032824-A1 Meiosis regulating compounds MNS1, NR5A1, NASP NPC1L1 2280/4885USP2 4505/4885LMNA 434/4885

“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