SCHEMBL21991990

SCHEMBL21991990

CC(C)OC(=O)C(C)(C)CCOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL21991919 0.87 PPARA (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2PPARA
SCHEMBL21991337 0.86 SMN1; SMN2 (0.43) KDM4EMAPTSMN1; SMN2PPARAMAOB
SCHEMBL21991582 0.86 PPARA (0.52) ALDH1A1MAPTSMN1; SMN2L3MBTL1PPARA
SCHEMBL21991298 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2PPARA
SCHEMBL21991954 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2PPARA
SCHEMBL21991576 0.83 PPARA (0.52) ALDH1A1PPARAPPARDMAOB
SCHEMBL21991361 0.82 PPARA (0.49) ALDH1A1MAPTSMN1; SMN2PPARAPPARD
SCHEMBL21991351 0.81 HRH2 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2PPARA
SCHEMBL21991343 0.80 PPARA (0.59) ALDH1A1KDM4EPPARAPPARD
SCHEMBL21991599 0.80 PPARA (0.49) ALDH1A1PPARAPPARDMAOB

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 ALDH1A1 932/4885KDM4E 4518/4885MAPT 4264/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885KDM4E 4518/4885MAPT 4264/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885KDM4E 4518/4885MAPT 4264/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885KDM4E 4518/4885MAPT 4264/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885KDM4E 4518/4885MAPT 4264/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885KDM4E 4518/4885MAPT 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.