SCHEMBL21991553

SCHEMBL21991553

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL23605976 0.85 MAPT (0.46) MAPTPOLBLMNATDP1TSHR
SCHEMBL21991913 0.85 MTNR1A (0.54) LDHAMAPTLMNATDP1TSHR
SCHEMBL21991548 0.85 LDHA (0.47) LDHAMAPTPOLBLMNATDP1
SCHEMBL21991345 0.84 LDHA (0.44) LDHAMAPTPOLBLMNATDP1
SCHEMBL21991898 0.84 MAPT (0.49) MAPTPOLBLMNATSHRALDH1A1
SCHEMBL21991538 0.84 NPSR1 (0.46) MAPTLMNATDP1TSHRSMN1; SMN2
SCHEMBL21991925 0.83 KMT2A (0.47) LDHAMAPTPOLBLMNATDP1
SCHEMBL10958161 0.81 LDHA (0.55) LDHAMAPTPOLBLMNATDP1
SCHEMBL21991564 0.80 PPARG (0.44) MAPTLMNATDP1TSHRSMN1; SMN2
SCHEMBL21991294 0.80 PPARG (0.45) MAPTALDH1A1PPARGPPARA

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 3139/4885MAPT 4264/4885POLB 3038/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 LDHA 3139/4885MAPT 4264/4885POLB 3038/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885MAPT 4264/4885POLB 3038/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885MAPT 4264/4885POLB 3038/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885MAPT 4264/4885POLB 3038/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885MAPT 4264/4885POLB 3038/4885

“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.