SCHEMBL21991541

SCHEMBL21991541

CCOC(=O)C(C)(C)COc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
ABCB11 O95342 2/20 0.63
TSHR P16473 1/20 0.63
HTR2A P28223 1/20 0.63
PMP22 Q01453 1/20 0.63
OPRK1 P41145 1/20 0.53
SSTR4 P31391 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAP4K4 O95819 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 2/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH2 P25021 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
SCHEMBL21991927 0.96 PPARA (0.58) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991303 0.93 PPARA (0.56) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21992686 0.92 MAOB (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991536 0.87 L3MBTL1 (0.53) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL23605682 0.87 MEN1 (0.49) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991889 0.86 ALDH1A1 (0.48) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991986 0.85 PPARA (0.60) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991896 0.84 ALDH1A1 (0.45) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21991884 0.84 SSTR4 (0.48) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL21748570 0.84 SSTR4 (0.53) PPARACYP1A2CYP3A4ABCB11TSHR

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 2919/4885CYP3A4 681/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885CYP3A4 681/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885CYP3A4 681/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885CYP3A4 681/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885CYP3A4 681/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A2 2919/4885CYP3A4 681/4885

“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.