SCHEMBL21991561

SCHEMBL21991561

CCOC(=O)C(C)C(C)COc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.42
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21991341 0.86 TSHR (0.45) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL21991589 0.86 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL21991887 0.85 MAPT (0.48) KDM4EMEN1KMT2ATDP1MAPT
SCHEMBL21991342 0.85 CYP1A2 (0.49) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL21991973 0.85 MAPT (0.44) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL11541367 0.84 MEN1 (0.47) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL21992712 0.83 KDM4E (0.54) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL11760381 0.82 LTA4H (0.51) ALDH1A1TDP1SMN1; SMN2MAPTLMNA
SCHEMBL23999456 0.81 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL19027338 0.81 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1TDP1

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 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KDM4E 4518/4885MEN1 3749/4885KMT2A 4842/4885

“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.