SCHEMBL21991580

SCHEMBL21991580

COC(=O)CC(C)C(C)Oc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 7/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL21992699 0.87 MTNR1A (0.50) CYP1A2HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL21991345 0.86 LDHA (0.44) LDHALMNATDP1KMT2AMEN1
SCHEMBL21992685 0.85 KMT2A (0.48) LDHALMNATDP1KMT2AMEN1
SCHEMBL21991934 0.84 GAA (0.48) LMNAKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL21991557 0.84 ALDH1A1 (0.49) LMNAKMT2AMEN1CYP1A2HPGD
SCHEMBL21991548 0.84 LDHA (0.47) LDHALMNATDP1KMT2AMEN1
SCHEMBL21991949 0.84 LDHA (0.51) LDHALMNATDP1KMT2AMEN1
SCHEMBL21991951 0.82 PPARG (0.45) LMNAKMT2AMEN1CYP1A2HPGD
SCHEMBL21991939 0.81 GAA (0.45) KMT2AL3MBTL1ALDH1A1NPSR1GAA
SCHEMBL502093 0.77 ALDH1A1 (0.49) LMNAKMT2AMEN1CYP1A2ATM

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 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885LMNA 4533/4885TDP1 1445/4885

“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.