SCHEMBL22044799

SCHEMBL22044799

CCCCOC(=O)COc1ccc(-n2cccn2)c([C@@H](C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TBXAS1 P24557 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
MCL1 Q07820 1/20 0.37
PTGDR Q13258 1/20 0.37
PLA2G4B P0C869 2/20 0.36
PTGER2 P43116 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21989074 0.84 PTGDR (0.48) ALDH1A1TDP1L3MBTL1TBXAS1MCL1
SCHEMBL22044791 0.84 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1TBXAS1PPARA
SCHEMBL22044800 0.84 PSEN1 (0.39) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25807870 0.81 ALDH1A1 (0.36) ALDH1A1TDP1L3MBTL1TBXAS1MCL1
SCHEMBL22045493 0.77 L3MBTL1 (0.37) ALDH1A1TDP1L3MBTL1TBXAS1PPARA
SCHEMBL25808017 0.75 KCNH2 (0.41) L3MBTL1KCNH2GAA
SCHEMBL21988678 0.71 MAPT (0.39) ALDH1A1PPARAPPARGCYP2C8CYP2C9
SCHEMBL21989072 0.69 MAPT (0.46) ALDH1A1L3MBTL1CYP2C8CYP2C9KCNH2
SCHEMBL21988643 0.69 MAPT (0.46) ALDH1A1L3MBTL1CYP2C8CYP2C9KCNH2
SCHEMBL21988644 0.69 MAPT (0.46) ALDH1A1L3MBTL1CYP2C8CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 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 (4 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885TDP1 1597/4885L3MBTL1 3751/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885TDP1 1597/4885L3MBTL1 3751/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885TDP1 1597/4885L3MBTL1 3751/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L ALDH1A1 1737/4885TDP1 1597/4885L3MBTL1 3751/4885

“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.