SCHEMBL16225777

SCHEMBL16225777

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 4/20 0.66
▸ CDC25A P30304 3/20 0.62
▸ CDC25B P30305 1/20 0.62
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ INPP5D Q92835 1/20 0.60
▸ SRD5A1 P18405 4/20 0.57
▸ SRD5A2 P31213 3/20 0.57
▸ FNTA P49354 2/20 0.57
▸ FNTB P49356 2/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ USP2 O75604 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ ABCB1 P08183 1/20 0.55
▸ OSBP P22059 1/20 0.55
▸ RORC P51449 1/20 0.55
▸ OSBP2 Q969R2 1/20 0.55
▸ CYP46A1 Q9Y6A2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL7117470 1.00 NPC1L1 (0.66) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL16226011 1.00 NPC1L1 (0.66) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL7117472 1.00 NPC1L1 (0.66) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL16225645 1.00 NPC1L1 (0.66) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL16226436 1.00 NPC1L1 (0.66) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL25336952 0.92 NPC1L1 (0.56) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL17817531 0.89 PTPN1 (0.71) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL26642635 0.89 PTPN1 (0.71) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL17817532 0.89 PTPN1 (0.71) NPC1L1CDC25ACDC25BCYP2D6CYP2C19
SCHEMBL26642641 0.89 PTPN1 (0.71) NPC1L1CDC25ACDC25BCYP2D6CYP2C19

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 NPC1L1 4118/4885CDC25A 334/4885CDC25B 1240/4885

“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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