SCHEMBL21991913

SCHEMBL21991913

COc1ccc(OC(C)CC(=O)OC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL23605976 0.87 MAPT (0.46) MTNR1AMTNR1BMAPTPPARGPPARA
SCHEMBL21992635 0.86 MTNR1A (0.61) MTNR1AMTNR1BSMN1; SMN2NPC1CYP1A2
SCHEMBL21991898 0.85 MAPT (0.49) MTNR1AMTNR1BSMN1; SMN2RAB9AMAPT
SCHEMBL21991538 0.85 NPSR1 (0.46) SMN1; SMN2CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21991553 0.85 LDHA (0.46) MTNR1AMTNR1BSMN1; SMN2RAB9AMAPT
SCHEMBL21991928 0.84 NPC1 (0.46) MTNR1AMTNR1BSMN1; SMN2NPC1CYP1A2
SCHEMBL21991858 0.82 MTNR1A (0.53) MTNR1AMTNR1BNPC1HPGDRAB9A
SCHEMBL21991294 0.81 PPARG (0.45) MAPTPPARGPPARAALDH1A1
SCHEMBL21991564 0.81 PPARG (0.44) SMN1; SMN2CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL21991306 0.81 BACE1 (0.37) MTNR1AMTNR1BMAPTTP53

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 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885SMN1; SMN2 3122/4885

“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.