SCHEMBL21991979

SCHEMBL21991979

CCOC(=O)C(C)(C)CCOc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ELANE P08246 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
RECQL P46063 1/20 0.43
TBXAS1 P24557 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
SCHEMBL21991575 0.87 CYP1A2 (0.45) PPARAL3MBTL1MAPTHRH2HRH1
SCHEMBL21991986 0.87 PPARA (0.60) PPARAL3MBTL1MAPTALDH1A1HRH2
SCHEMBL21991351 0.87 HRH2 (0.46) PPARAMAPTALDH1A1HRH2HRH1
SCHEMBL21992707 0.86 PPARA (0.54) PPARAMAPTALDH1A1MTNR1AMTNR1B
SCHEMBL21991889 0.84 ALDH1A1 (0.48) PPARAL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL21991924 0.84 PPARA (0.53) PPARAALDH1A1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL21991360 0.83 PPARA (0.56) PPARAL3MBTL1MAPTALDH1A1HRH2
SCHEMBL21992736 0.81 PPARA (0.50) PPARAL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL21991329 0.81 PPARA (0.71) PPARAMAPTMTNR1AMTNR1BLMNA
SCHEMBL21991919 0.81 PPARA (0.49) PPARAMAPTALDH1A1MTNR1AMTNR1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
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
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO 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 (7 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 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 PPARA 2846/4885L3MBTL1 3049/4885MAPT 2908/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885MAPT 4264/4885

“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.