SCHEMBL3466236

SCHEMBL3466236

CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 10/20 0.57
▸ USP2 O75604 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ INPP5D Q92835 1/20 0.52
▸ CDC25A P30304 3/20 0.48
▸ POLA1 P09884 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ SRD5A1 P18405 3/20 0.45
▸ SRD5A2 P31213 3/20 0.45
▸ CDC25B P30305 1/20 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
SCHEMBL22872157 1.00 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL24632922 1.00 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL30088637 1.00 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL9829516 0.91 NPC1L1 (0.49) NPC1L1USP2LMNAMEN1TP53
SCHEMBL11778820 0.90 NPC1L1 (0.48) NPC1L1USP2LMNAMEN1TP53
SCHEMBL9827579 0.90 NPC1L1 (0.45) NPC1L1USP2LMNAMEN1TP53
SCHEMBL11413520 0.89 NPC1L1 (0.52) NPC1L1USP2LMNAMEN1TP53
SCHEMBL26669399 0.89 GPBAR1 (0.47) NPC1L1USP2LMNAMEN1TP53
SCHEMBL9829186 0.89 GPBAR1 (0.47) NPC1L1USP2LMNAMEN1TP53
SCHEMBL3137808 0.89 NPC1L1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — WO disclosed
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — 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-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS NR1H4, LDLR, NR1H3 NPC1L1 11/4885USP2 3383/4885LMNA 2083/4885

“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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