SCHEMBL21991364

SCHEMBL21991364

COC(=O)CC(C)C(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NR4A2 P43354 1/20 0.50
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
APP P05067 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PTGS2 P35354 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 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
SCHEMBL21991934 0.89 GAA (0.48) RAB9AALDH1A1PTGS2MAPT
SCHEMBL21991608 0.89 MAOB (0.51) MAOBMAOANPC1RAB9ANR4A2
SCHEMBL21992011 0.88 FFAR1 (0.52) MAOBMAOANPC1RAB9ANR4A2
SCHEMBL21991366 0.87 FFAR1 (0.59) MAOBMAOANPC1RAB9ANR4A2
SCHEMBL21991327 0.87 MAOB (0.55) MAOBMAOANPC1RAB9ANR4A2
SCHEMBL21991939 0.85 GAA (0.45) ALDH1A1FNTAFNTBPTGS2
SCHEMBL21991604 0.85 MAOB (0.56) MAOBFFAR1
SCHEMBL21991352 0.83 HPGD (0.53) RAB9AALDH1A1PTGS2MAPTHTT
SCHEMBL21991592 0.83 L3MBTL1 (0.50) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL21991853 0.82 MAOB (0.55) MAOBMAOANPC1RAB9ANR4A2

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 3996/4885NPC1 233/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885NPC1 233/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885NPC1 233/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885NPC1 233/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885NPC1 233/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MAOA 3996/4885NPC1 233/4885

“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.