SCHEMBL13812658

SCHEMBL13812658

C=CCCCCCCCCCOCCOCCOCCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
USP2 O75604 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
ADORA1 P30542 1/20 0.39
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 2/20 0.33
ABCC4 O15439 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2241904 0.93 TSHR (0.54) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL6523465 0.93 ALDH1A1 (0.46) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL9432188 0.89 TSHR (0.62) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL20495987 0.89 TSHR (0.62) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL8723938 0.89 TSHR (0.62) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL1606611 0.89 TSHR (0.62) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL11176516 0.89 TSHR (0.62) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL1606138 0.87 TSHR (0.65) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL21070696 0.84 TSHR (0.67) ALDH1A1TSHRLMNAUSP2KDM4E
SCHEMBL16589829 0.82 LPAR3 (0.44) ALDH1A1TSHRLMNAUSP2LPAR3

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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI ALDH1A1 2500/4885TSHR 2242/4885LMNA 1876/4885

“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.