SCHEMBL21991809

SCHEMBL21991809

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PDE4B Q07343 1/20 0.45
LDHA P00338 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL23605988 0.85 L3MBTL1 (0.49) ALDH1A1LMNAPPARGPPARAMAPT
SCHEMBL21992534 0.84 PPARA (0.61) ALDH1A1NPSR1LMNAMAPK1TDP1
SCHEMBL21991270 0.84 PPARA (0.43) LDHAALDH1A1NPSR1LMNAMAPK1
SCHEMBL21992541 0.84 PPARA (0.41) PPARGPPARAMAPTKDM4E
SCHEMBL21991504 0.84 ALDH1A1 (0.46) CA1CA2CES2CES1ALDH1A1
SCHEMBL21992551 0.81 PPARA (0.47) ALDH1A1PPARGPPARA
SCHEMBL21991844 0.80 PPARA (0.56) ALDH1A1PPARGPPARAMAPT
SCHEMBL21991487 0.80 CYP1A2 (0.45) ALDH1A1ALOX15HSD17B10PPARGPPARA
SCHEMBL7236788 0.79 ALDH1A1 (0.49) CA1CA2PDE4BLDHAALDH1A1
SCHEMBL21991505 0.78 CYP1A2 (0.46) LDHACES2CES1ALDH1A1NPSR1

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 CA1 4372/4885CA2 4634/4885PDE4B 139/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CA1 4372/4885CA2 4634/4885PDE4B 139/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CA1 4372/4885CA2 4634/4885PDE4B 139/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CA1 4372/4885CA2 4634/4885PDE4B 139/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CA1 4372/4885CA2 4634/4885PDE4B 139/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CA1 4372/4885CA2 4634/4885PDE4B 139/4885

“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.