SCHEMBL21991759

SCHEMBL21991759

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.64
CYP1A2 P05177 4/20 0.64
MAPT P10636 4/20 0.64
CYP2C19 P33261 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP3A4 P08684 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 3/20 0.64
CYP2C9 P11712 2/20 0.64
HPGD P15428 2/20 0.64
ABCB11 O95342 2/20 0.64
TSHR P16473 2/20 0.64
HTR2A P28223 2/20 0.64
PMP22 Q01453 2/20 0.64
MAPK1 P28482 2/20 0.64
PPARG P37231 2/20 0.64
USP2 O75604 1/20 0.64

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
SCHEMBL15363137 0.90 CYP1A2 (0.54) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
Ethane SCHEMBL16527877 0.89 CYP1A2 (0.53) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL23605937 0.86 PPARA (0.64) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL20591223 0.85 PPARG (0.67) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL21991235 0.85 PPARA (0.62) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL28653724 0.85 PPARA (0.62) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL21991447 0.85 PPARA (0.62) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL21992457 0.85 CNR1 (0.86) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL27302986 0.84 PPARG (0.61) PPARACYP1A2MAPTCYP2C19SMN1; SMN2
SCHEMBL15363139 0.84 CYP1A2 (0.49) PPARACYP1A2MAPTCYP2C19SMN1; SMN2

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 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885MAPT 4264/4885

“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.