SCHEMBL21843005

SCHEMBL21843005

CC(OCc1ccccc1)C(O)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL21843008 1.00 ALDH1A1 (0.53) ALDH1A1LTA4HLAP3KMT2AMAPK1
SCHEMBL8930328 0.90 LMNA (0.52) ALDH1A1KMT2AL3MBTL1RCE1MMP9
SCHEMBL8930325 0.90 LMNA (0.52) ALDH1A1KMT2AL3MBTL1RCE1MMP9
SCHEMBL1362196 0.86 SLC1A3 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1362201 0.86 SLC1A3 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL5569976 0.86 SLC1A3 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1362199 0.86 SLC1A3 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1487164 0.86 SLC1A3 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL487210 0.86 RCE1 (0.47) ALDH1A1LTA4HKMT2ARCE1MMP9
SCHEMBL487212 0.86 RCE1 (0.47) ALDH1A1LTA4HKMT2ARCE1MMP9

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-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-24 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-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 FUT5, SPAG5, IL5 ALDH1A1 3515/4885LTA4H 1327/4885LAP3 1502/4885

“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.