SCHEMBL13988168

SCHEMBL13988168

CC(C)CCC[C@@H](C)[C@@H]1CCC2C3C[C@@H](O)C45C[C@H]4CC[C@]5(C)C3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 10/20 0.70
▸ USP2 O75604 3/20 0.70
▸ LMNA P02545 3/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ INPP5D Q92835 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ CDC25A P30304 3/20 0.51
▸ CDC25B P30305 1/20 0.51
▸ POLA1 P09884 1/20 0.49
▸ OSBP P22059 2/20 0.49
▸ OSBP2 Q969R2 2/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ RORC P51449 1/20 0.49
▸ CYP46A1 Q9Y6A2 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
SCHEMBL14007452 1.00 NPC1L1 (0.70) NPC1L1USP2LMNAMEN1TP53
SCHEMBL15107562 1.00 NPC1L1 (0.70) NPC1L1USP2LMNAMEN1TP53
SCHEMBL131383 1.00 NPC1L1 (0.70) NPC1L1USP2LMNAMEN1TP53
SCHEMBL1937432 0.88 CYP2D6 (0.60) NPC1L1USP2LMNAMEN1TP53
SCHEMBL24632922 0.86 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL30088637 0.86 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL22872157 0.86 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL3466236 0.86 NPC1L1 (0.57) NPC1L1USP2LMNAMEN1TP53
SCHEMBL11823008 0.86 NPC1L1 (0.52) NPC1L1USP2LMNAMEN1TP53
SCHEMBL21883650 0.84 NPC1L1 (0.81) 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-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 — — 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-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G NPC1L1 238/4885USP2 682/4885LMNA 524/4885

“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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