SCHEMBL21991769

SCHEMBL21991769

CCOC(=O)C(C)C(C)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
PPARA Q07869 5/20 0.49
CYP1A2 P05177 2/20 0.49
ABCB11 O95342 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.45
PPARG P37231 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL21991282 0.95 EPHX2 (0.47) EPHX2PPARACYP1A2ABCB11CYP3A4
SCHEMBL21992608 0.93 HPGD (0.50) EPHX2PPARACYP1A2ABCB11CYP3A4
SCHEMBL21991832 0.89 L3MBTL1 (0.57) EPHX2PPARALMNAALDH1A1MAPT
SCHEMBL23605969 0.87 PPARA (0.47) EPHX2PPARAKMT2APPARG
SCHEMBL21991285 0.87 NPC1 (0.55) EPHX2PPARACYP1A2ABCB11CYP3A4
SCHEMBL23605974 0.87 KMT2A (0.50) PPARAKMT2APPARGLMNAALDH1A1
SCHEMBL21992554 0.85 TAS1R3 (0.47) PPARATSHRKMT2APPARGLMNA
SCHEMBL21991837 0.84 KMT2A (0.48) PPARACYP1A2KMT2APPARGLMNA
SCHEMBL21992537 0.84 NPSR1 (0.47) EPHX2PPARACYP1A2KMT2APPARG
SCHEMBL21991494 0.83 GAA (0.44) EPHX2PPARACYP1A2KMT2APPARG

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 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885CYP1A2 2919/4885

“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.