SCHEMBL21991591

SCHEMBL21991591

COC(=O)CC(C)C(C)Oc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 2/20 0.41
ALOX15 P16050 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL21991985 0.87 NLRP3 (0.44) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21991998 0.87 HTT (0.43) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21991964 0.85 TSHR (0.51) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21992651 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21992611 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL24419010 0.74 TSHR (0.48) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21991511 0.74 TSHR (0.47) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21992607 0.74 HTT (0.46) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21991943 0.73 TSHR (0.54) SMN1; SMN2HTTLMNATDP1GAA
SCHEMBL21991556 0.72 NLRP3 (0.46) SMN1; SMN2HTTLMNATDP1GAA

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 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SMN1; SMN2 3122/4885HTT 3640/4885LMNA 4533/4885

“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.