SCHEMBL21991889

SCHEMBL21991889

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.45
PPARA Q07869 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
MAPT P10636 6/20 0.43
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL23605682 0.89 MEN1 (0.49) L3MBTL1CYP1A2PPARAABCB11CYP3A4
SCHEMBL21991884 0.86 SSTR4 (0.48) ALDH1A1L3MBTL1CYP1A2PPARAABCB11
SCHEMBL21991541 0.86 PPARA (0.63) ALDH1A1CYP1A2PPARAABCB11CYP3A4
SCHEMBL21991896 0.86 ALDH1A1 (0.45) ALDH1A1CYP1A2PPARAABCB11CYP3A4
SCHEMBL3881117 0.85 DGAT1 (0.49) ALDH1A1PPARAMAPTKDM4EMAPK1
SCHEMBL21991979 0.84 PPARA (0.50) ALDH1A1L3MBTL1CYP1A2PPARAABCB11
SCHEMBL21991304 0.83 NPC1 (0.51) ALDH1A1CYP1A2PPARAABCB11CYP3A4
SCHEMBL21991927 0.82 PPARA (0.58) ALDH1A1CYP1A2PPARAABCB11CYP3A4
SCHEMBL3798352 0.81 KMT2A (0.50) ALDH1A1L3MBTL1CYP1A2PPARAABCB11
SCHEMBL21991301 0.81 CYP1A2 (0.41) ALDH1A1CYP1A2PPARAABCB11CYP3A4

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 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885L3MBTL1 1170/4885CYP1A2 2919/4885

“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.