SCHEMBL21992686

SCHEMBL21992686

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
MAOA P21397 4/20 0.55
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
PMP22 Q01453 1/20 0.55
PPARA Q07869 1/20 0.55
OPRK1 P41145 1/20 0.53
NR4A2 P43354 1/20 0.52
FFAR1 O14842 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
APP P05067 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL21991541 0.92 PPARA (0.63) MAOBMAOAABCB11CYP1A2CYP3A4
SCHEMBL21991927 0.88 PPARA (0.58) MAOBABCB11CYP1A2CYP3A4TSHR
SCHEMBL21992733 0.87 MAOB (0.52) MAOBMAOAABCB11CYP1A2CYP3A4
SCHEMBL21992687 0.86 MAOB (0.57) MAOBMAOAPPARANR4A2NPC1
SCHEMBL21991303 0.85 PPARA (0.56) MAOBMAOAABCB11CYP1A2CYP3A4
SCHEMBL21991536 0.85 L3MBTL1 (0.53) MAOBMAOAABCB11CYP1A2CYP3A4
SCHEMBL21991970 0.85 MAOB (0.59) MAOBNR4A2FFAR1HRH3
SCHEMBL21991804 0.84 PPARA (0.79) MAOBMAOAABCB11CYP1A2CYP3A4
SCHEMBL21991969 0.83 NR4A2 (0.61) MAOBMAOAPPARANR4A2FFAR1
SCHEMBL21992684 0.83 MAOB (0.53) MAOBMAOAABCB11CYP1A2CYP3A4

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 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885ABCB11 404/4885

“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.