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SCHEMBL21991598

SCHEMBL21991598

CC(C)OC(=O)CC(C)C(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PPARG P37231 7/20 0.42
▸ PPARA Q07869 7/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL21991987 0.96 KMT2A (0.45) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL21991344 0.89 KMT2A (0.52) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL21991939 0.87 GAA (0.45) KMT2APPARGPPARANPSR1GAA
SCHEMBL21991608 0.86 MAOB (0.51) KMT2AMEN1MAPT
SCHEMBL21991564 0.86 PPARG (0.44) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL21991960 0.85 PPARA (0.43) PPARGPPARANPSR1SMN1; SMN2GAA
SCHEMBL21991350 0.84 FNTA (0.48) KMT2APPARGPPARANPSR1GAA
SCHEMBL21991600 0.84 PPARG (0.41) KMT2AMEN1PPARGPPARACYP3A4
SCHEMBL21991928 0.82 NPC1 (0.46) KMT2APPARGPPARASMN1; SMN2CYP1A2
SCHEMBL21991934 0.82 GAA (0.48) KMT2AMEN1PPARGPPARANPSR1

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 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885

“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.