SCHEMBL21991869

SCHEMBL21991869

COc1ccc(OC(C)CC(=O)OCC(=O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 1/20 0.40
MAPT P10636 2/20 0.39
KLK7 P49862 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERCC5 P28715 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
SCHEMBL23605968 0.89 KMT2A (0.38) MTNR1AMTNR1BPPARGPPARAALDH1A1
SCHEMBL21991611 0.87 PPARG (0.41) PPARGPPARAALDH1A1
SCHEMBL21991908 0.87 MTNR1A (0.50) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL21991861 0.87 PPARG (0.41) PPARGPPARAALDH1A1
SCHEMBL21991602 0.87 PPARG (0.41) PPARGPPARAALDH1A1
SCHEMBL21991532 0.87 NPSR1 (0.42) MTNR1AMTNR1BPPARGPPARAALDH1A1
SCHEMBL21991897 0.87 LDHA (0.44) MTNR1AMTNR1BPPARGPPARAALDH1A1
SCHEMBL21991550 0.85 MTNR1A (0.45) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL21991266 0.84 PPARG (0.43) PPARGPPARAALDH1A1MAPT
SCHEMBL21991309 0.84 PPARA (0.42) PPARGPPARAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885

“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.