SCHEMBL23217240

SCHEMBL23217240

COc1ccc(COc2coc(CP(=O)(O)O)cc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
LDHA P00338 2/20 0.39
IDH1 O75874 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL23228902 0.85 NPC1 (0.50) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL103357 0.85 RAB9A (0.76) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778350 0.83 RAB9A (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL23628928 0.83 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976049 0.83 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976048 0.79 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778461 0.78 NPC1 (0.54) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976089 0.78 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9356623 0.78 RAB9A (0.52) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9712276 0.77 NPC1 (0.50) NPC1RAB9ACYP1A2CYP2C19RECQL

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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 NPC1 149/4885RAB9A 1674/4885CYP1A2 3940/4885

“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.