SCHEMBL21991589

SCHEMBL21991589

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL21991346 0.87 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL21991561 0.86 KDM4E (0.45) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL21991973 0.86 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL21991336 0.84 CYP1A2 (0.50) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21991567 0.84 TSHR (0.43) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL21992712 0.84 KDM4E (0.54) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL7749771 0.84 MAPT (0.51) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL19027641 0.81 ALDH1A1 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL19027644 0.81 ALDH1A1 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL21991581 0.81 ALDH1A1 (0.48) ALDH1A1MAOB

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 MAPT 4264/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAPT 4264/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885ALDH1A1 932/4885KDM4E 4518/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885ALDH1A1 932/4885KDM4E 4518/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885ALDH1A1 932/4885KDM4E 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.