SCHEMBL20988015

SCHEMBL20988015

CCC(CC)N(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL10710984 0.86 GABRR1 (0.33) FFAR3TDP1EYA2APPACE
SCHEMBL26306487 0.86 FFAR3 (0.33) FFAR3TDP1EYA2APPACE
SCHEMBL2468873 0.84 TDP1 (0.31) FFAR3TDP1EYA2APPACE
SCHEMBL8323483 0.84 TDP1 (0.41) FFAR3TDP1EYA2APPACE
SCHEMBL11756041 0.83 TDP1 (0.39) TDP1EYA2APPACEBLM
SCHEMBL5580135 0.80 ALDH1A1 (0.33) TDP1ACELMNA
SCHEMBL18843665 0.80 TDP1 (0.52) TDP1EYA2APPACEBLM
SCHEMBL13591210 0.79 FFAR3 (0.38) FFAR3TDP1EYA2APPACE
SCHEMBL335693 0.79 FFAR3 (0.38) FFAR3TDP1EYA2APPACE
SCHEMBL20988159 0.77 FFAR3 (0.36) FFAR3TDP1EYA2APPACE

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 FFAR3 2367/4885TDP1 4057/4885EYA2 2046/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 FFAR3 2367/4885TDP1 4057/4885EYA2 2046/4885

“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.