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SCHEMBL21992672

SCHEMBL21992672

CCOC(=O)C(=O)COC(=O)CC(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PPARG P37231 6/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL21992647 0.96 PPARA (0.41) EPHX2PPARATSHRABCB11CYP1A2
SCHEMBL21991310 0.91 HPGD (0.42) EPHX2PPARATSHRABCB11CYP1A2
SCHEMBL21991966 0.91 PPARG (0.38) PPARATSHRCYP1A2CYP3A4PMP22
SCHEMBL21992677 0.89 GAA (0.40) PPARATSHRGAAPPARGNPSR1
SCHEMBL21991955 0.89 PPARA (0.44) EPHX2PPARATSHRABCB11CYP1A2
SCHEMBL21991974 0.88 FFAR1 (0.47) EPHX2GAAALDH1A1MAPTHPGD
SCHEMBL21992637 0.87 PPARA (0.40) EPHX2PPARATSHRCYP1A2CYP3A4
SCHEMBL21991309 0.86 PPARA (0.42) PPARATSHRGAAALDH1A1PPARG
SCHEMBL23605990 0.86 KMT2A (0.39) TSHRGAAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21991550 0.85 MTNR1A (0.45) GAAALDH1A1MAPTHPGD

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 806/4885TSHR 3214/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885TSHR 3214/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885TSHR 3214/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885TSHR 3214/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885TSHR 3214/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885TSHR 3214/4885

“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.