SCHEMBL21992685

SCHEMBL21992685

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
LDHA P00338 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
GPR35 Q9HC97 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
KDM1A O60341 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21992715 0.87 ALOX15 (0.45) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL21991613 0.85 NPSR1 (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991988 0.85 NPSR1 (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991338 0.85 PPARA (0.46) KMT2AGAAMAPTNPSR1ALDH1A1
SCHEMBL21991997 0.85 NPSR1 (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21992014 0.85 NPSR1 (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991571 0.85 NPSR1 (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991580 0.85 LDHA (0.45) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991925 0.85 KMT2A (0.47) KMT2AMEN1GAALMNAMAPT
SCHEMBL21991345 0.84 LDHA (0.44) KMT2AMEN1GAALMNAMAPT

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 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885GAA 2392/4885

“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.