SCHEMBL21991987

SCHEMBL21991987

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PPARG P37231 8/20 0.42
PPARA Q07869 8/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRB3 P13945 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL21991598 0.96 KMT2A (0.42) KMT2AMEN1NPSR1SMN1; SMN2GAA
SCHEMBL21991344 0.93 KMT2A (0.52) KMT2AMEN1NPSR1SMN1; SMN2GAA
SCHEMBL21991608 0.90 MAOB (0.51) KMT2AMEN1MAPTPOLB
SCHEMBL21991353 0.88 NPC1 (0.49) KMT2AMEN1NPSR1SMN1; SMN2GAA
SCHEMBL21991934 0.86 GAA (0.48) KMT2AMEN1NPSR1GAAGPR55
SCHEMBL21991928 0.86 NPC1 (0.46) KMT2ASMN1; SMN2PPARGPPARACYP1A2
SCHEMBL21991345 0.85 LDHA (0.44) KMT2AMEN1NPSR1SMN1; SMN2GAA
SCHEMBL21991316 0.85 MAPT (0.47) KMT2ANPSR1SMN1; SMN2PPARGPPARA
SCHEMBL21991538 0.84 NPSR1 (0.46) KMT2AMEN1NPSR1SMN1; SMN2GAA
SCHEMBL21991573 0.83 KMT2A (0.50) KMT2ANPSR1GAAGPR55PPARG

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 3749/4885NPSR1 712/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885NPSR1 712/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885NPSR1 712/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885NPSR1 712/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885NPSR1 712/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885NPSR1 712/4885

“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.