SCHEMBL21991586

SCHEMBL21991586

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HTT P42858 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
FFAR1 O14842 3/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LDHA P00338 1/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21992699 0.85 MTNR1A (0.50) TAS1R3TAS1R1TAS1R2HTTMTNR1A
SCHEMBL21991949 0.85 LDHA (0.51) FFAR1PPARGPPARALDHAKMT2A
SCHEMBL21991330 0.85 NPSR1 (0.48) FFAR1PPARGPPARAKMT2AATM
SCHEMBL21991573 0.85 KMT2A (0.50) FFAR1PPARGPPARAKMT2A
SCHEMBL21991878 0.82 MTNR1A (0.58) TAS1R3TAS1R1TAS1R2HTTMTNR1A
SCHEMBL21991971 0.82 PPARG (0.50) FFAR1PPARGPPARAKMT2A
SCHEMBL21991928 0.82 NPC1 (0.46) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL21992715 0.81 ALOX15 (0.45) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL21991350 0.81 FNTA (0.48) FFAR1PPARGPPARAKMT2A
SCHEMBL5317085 0.79 HTT (0.55) HTTFFAR1LDHAKMT2AATM

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 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885

“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.