SCHEMBL21991282

SCHEMBL21991282

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
PPARA Q07869 9/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
PPARG P37231 8/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR55 Q9Y2T6 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21991769 0.95 EPHX2 (0.50) EPHX2PPARAABCB11CYP1A2CYP3A4
SCHEMBL21992608 0.89 HPGD (0.50) EPHX2PPARAABCB11CYP1A2CYP3A4
SCHEMBL21991832 0.85 L3MBTL1 (0.57) EPHX2PPARALMNAALDH1A1MAPT
SCHEMBL21992627 0.85 L3MBTL1 (0.46) PPARACYP1A2PPARGKMT2AALDH1A1
SCHEMBL10964710 0.85 EPHX2 (0.62) EPHX2PPARAABCB11CYP1A2CYP3A4
SCHEMBL21991502 0.84 MEN1 (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11727452 0.83 PPARA (0.49) EPHX2PPARAABCB11CYP1A2CYP3A4
SCHEMBL23605969 0.83 PPARA (0.47) EPHX2PPARAPPARGKMT2A
SCHEMBL23605974 0.83 KMT2A (0.50) PPARAPPARGKMT2ALMNAALDH1A1
SCHEMBL21991960 0.82 PPARA (0.43) EPHX2PPARAABCB11CYP1A2CYP3A4

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 806/4885ABCB11 404/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885ABCB11 404/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885ABCB11 404/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885ABCB11 404/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885ABCB11 404/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 EPHX2 1344/4885PPARA 806/4885ABCB11 404/4885

“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.