SCHEMBL21991981

SCHEMBL21991981

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.53
MAOA P21397 3/20 0.53
FFAR1 O14842 1/20 0.52
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
APP P05067 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PPARA Q07869 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
SCHEMBL21991342 0.92 CYP1A2 (0.49) MAOBL3MBTL1LMNAALDH1A1RAB9A
SCHEMBL21991595 0.88 MAOB (0.55) MAOBMAOAFFAR1NR4A2NPC1
SCHEMBL21992727 0.88 CYP1A2 (0.46) L3MBTL1LMNAALDH1A1RAB9AGAA
SCHEMBL21991980 0.87 MAOB (0.53) MAOBMAOAFFAR1NR4A2ALDH1A1
SCHEMBL21992004 0.86 HPGD (0.48) MAOBMAOAL3MBTL1LMNAALDH1A1
SCHEMBL21991594 0.85 L3MBTL1 (0.52) MAOBMAOANR4A2L3MBTL1LMNA
SCHEMBL21992009 0.85 NR4A2 (0.58) MAOBMAOAFFAR1NR4A2NPC1
SCHEMBL21991832 0.85 L3MBTL1 (0.57) MAOBMAOAFFAR1NR4A2L3MBTL1
SCHEMBL21991963 0.84 MAOB (0.56) MAOBFFAR1L3MBTL1LMNA
SCHEMBL23605759 0.82 L3MBTL1 (0.76) MAOBMAOAFFAR1NR4A2L3MBTL1

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 3996/4885FFAR1 147/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885FFAR1 147/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885FFAR1 147/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885FFAR1 147/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885FFAR1 147/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885FFAR1 147/4885

“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.