SCHEMBL21991973

SCHEMBL21991973

CC(C)OC(=O)C(C)C(C)COc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.40
MAOB P27338 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL21991332 0.86 CYP2C9 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL21991589 0.86 MAPT (0.49) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL21991561 0.85 KDM4E (0.45) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL21991929 0.85 MAPT (0.40) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL21992706 0.85 CYP1A2 (0.49) MAPTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL21992712 0.83 KDM4E (0.54) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL21991942 0.81 CYP1A2 (0.46) MAPTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL21992697 0.81 MAOB (0.44) ALDH1A1MAOB
SCHEMBL21991340 0.79 LMNA (0.52) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL21992597 0.76 LDHA (0.47) MAPTKDM4EALDH1A1SMN1; SMN2TDP1

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

“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.