SCHEMBL129759

SCHEMBL129759

CO[C@H]1C[C@H](N(C)C(=O)OCc2ccccc2)C[C@H]1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 4/20 0.45
CCR5 P51681 1/20 0.43
ABCB1 P08183 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 1/20 0.40
CPB1 P15086 1/20 0.40
HTR2C P28335 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL19753359 0.92 SIGMAR1 (0.47) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL25568168 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL2621386 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL2621297 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL19139368 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL30865762 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL129763 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL25568169 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR5ABCB1MAPT
SCHEMBL25568175 0.84 SIGMAR1 (0.52) SIGMAR1ALDH1A1CCR5MAPTHPGD
SCHEMBL1058888 0.84 SIGMAR1 (0.60) SIGMAR1ALDH1A1CCR5MAPTHPGD

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-8722082-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-05-13 US disclosed
US-20120058144-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-08 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-20120058144-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ABCB4, CETP, SGMS1 SIGMAR1 2178/4885ALDH1A1 3777/4885CCR5 406/4885

“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.