SCHEMBL1264655

SCHEMBL1264655

CCC(C)C1COC(c2cccc(C3=NC(C(C)CC)CO3)n2)=N1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL23912877 0.84 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL31069783 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL918871 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL30106823 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL14148163 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL245302 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL245303 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL21351775 0.84 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12786269 0.83 NPC1 (0.64) NPC1MAPTRAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7183038 0.81 NPC1 (0.62) NPC1MAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022235-B2 Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use CELLECTAR, INC. (US) 2011-09-20 US disclosed
US-7893286-B2 Method for the synthesis of phospholipid ethers CELLECTAR, INC. (US) 2011-02-22 US disclosed
US-20090018357-A1 Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use CELL ACQUISITION CORP. 2009-01-15 US disclosed
US-20080312459-A1 Method for the synthesis of phospholipid ethers CELL ACQUISITION CORP. 2008-12-18 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 (2 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-20090018357-A1 Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use PHOSPHO1, PEBP1, SGMS1 NPC1 204/4885MAPT 4708/4885RAB9A 956/4885
US-20080312459-A1 Method for the synthesis of phospholipid ethers PHOSPHO1, PLEC, PLA2G2C NPC1 1515/4885MAPT 4208/4885RAB9A 1250/4885

“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.