SCHEMBL21991972

SCHEMBL21991972

CC(C)OC(=O)C(C)(C)CCOc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
MAOA P21397 3/20 0.51
NR4A2 P43354 1/20 0.49
PPARA Q07869 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRB3 P13945 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL21991582 0.92 PPARA (0.52) MAOBPPARAMEN1KMT2AABCG2
SCHEMBL21991361 0.89 PPARA (0.49) MAOBPPARAMEN1KMT2AABCG2
SCHEMBL21992684 0.88 MAOB (0.53) MAOBMAOANR4A2PPARAMEN1
SCHEMBL21991355 0.86 PPARA (0.63) MAOBMAOAPPARAMEN1KMT2A
SCHEMBL21991597 0.86 PPARA (0.48) MAOBMAOANR4A2PPARAMEN1
SCHEMBL21991363 0.86 MAOB (0.55) MAOBMAOANR4A2PPARAKMT2A
SCHEMBL21991603 0.86 MAOB (0.55) MAOBNR4A2PPARAPPARGFFAR1
SCHEMBL21992733 0.84 MAOB (0.52) MAOBMAOANR4A2PPARAABCG2
SCHEMBL21991607 0.83 PPARA (0.62) MAOBMAOANR4A2PPARAPPARG
SCHEMBL21992521 0.82 PPARA (0.68) MAOBMAOANR4A2PPARAMEN1

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

“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.