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SCHEMBL21991880

SCHEMBL21991880

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LDHA P00338 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21991908 0.89 MTNR1A (0.50) ALDH1A1SMN1; SMN2MTNR1AMTNR1BLMNA
SCHEMBL21992661 0.88 KMT2A (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTLDHA
SCHEMBL23606053 0.88 KMT2A (0.41) ALDH1A1MTNR1AMTNR1BMAPTTDP1
SCHEMBL21991868 0.87 GAA (0.42) MTNR1AMTNR1BKMT2AGAAPOLB
SCHEMBL21991885 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MTNR1AMTNR1BMAPT
SCHEMBL21991897 0.86 LDHA (0.44) ALDH1A1SMN1; SMN2KDM4EMTNR1AMTNR1B
SCHEMBL21992649 0.86 MEN1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPTLDHA
SCHEMBL21991905 0.84 ALDH1A1 (0.39) ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL21992677 0.84 GAA (0.40) MTNR1AMTNR1BGAAPOLB
SCHEMBL21991548 0.83 LDHA (0.47) ALDH1A1SMN1; SMN2KDM4EMTNR1AMTNR1B

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 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KDM4E 4518/4885

“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.