SCHEMBL1264640

SCHEMBL1264640

CC(=O)OCCCCCCCCCCCCCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 4/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43

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
SCHEMBL27051190 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1263888 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11235634 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11219530 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL52919 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL14674017 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL535694 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL535182 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1005318 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL19637930 0.98 ALDH1A1 (0.54) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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 7 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-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-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
WO-2008150439-A1 COMPOSITIONS OF PHOSPHOLIPID ETHER BORONIC ACIDS AND ESTERS AND METHODS FOR THEIR SYNTHESIS AND USE CELLECTAR, INC. (US) 2008-12-11 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 (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 ALDH1A1 4597/4885LMNA 278/4885APOBEC3A 3054/4885
US-20080312459-A1 Method for the synthesis of phospholipid ethers PHOSPHO1, PLEC, PLA2G2C ALDH1A1 3190/4885LMNA 1769/4885APOBEC3A 4504/4885

“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.