SCHEMBL21991969

SCHEMBL21991969

CC(C)(COc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
MAOB P27338 6/20 0.60
MAOA P21397 3/20 0.60
MAP4K4 O95819 1/20 0.55
APP P05067 1/20 0.51
PPARA Q07869 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
FFAR1 O14842 1/20 0.51
PPARG P37231 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50

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
SCHEMBL21748609 0.91 MAP4K4 (0.62) NR4A2MAOBMAOAMAP4K4PPARA
SCHEMBL21991957 0.86 MAP4K4 (0.58) NR4A2MAP4K4PPARAPPARG
SCHEMBL21992687 0.86 MAOB (0.57) NR4A2MAOBMAOAAPPPPARA
SCHEMBL21991607 0.86 PPARA (0.62) NR4A2MAOBMAOAAPPPPARA
SCHEMBL21991555 0.84 PPARA (0.61) NR4A2MAOBMAOAMAP4K4PPARA
SCHEMBL21992686 0.83 MAOB (0.55) NR4A2MAOBMAOAAPPPPARA
SCHEMBL21992667 0.83 L3MBTL1 (0.55) NR4A2MAOBMAOAMAP4K4PPARA
SCHEMBL21991326 0.83 MAOB (0.64) NR4A2MAOBPPARAHRH3FFAR1
SCHEMBL21992684 0.82 MAOB (0.53) NR4A2MAOBMAOAAPPPPARA
SCHEMBL21991803 0.82 PPARA (0.73) NR4A2MAOBMAOAPPARAPPARG

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 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885

“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.