SCHEMBL6844772

SCHEMBL6844772

CC1(C)OCC(O)CO1.CC1(C)OCC(ON2C(=O)c3ccccc3C2=O)CO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.33
HTR7 P34969 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
VDR P11473 1/20 0.32
ACHE P22303 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CES1 P23141 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL4856718 0.93 LMNA (0.37) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL6525004 0.76 GAA (0.42) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL9183556 0.73 GAA (0.45) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL1526844 0.71 GAA (0.41) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL26931611 0.70 GAA (0.46) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL30728974 0.70 GAA (0.46) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL20746470 0.70 TSHR (0.41) ALDH1A1KMT2ALMNAGAACYP1A2
SCHEMBL2565587 0.69 KMT2A (0.39) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL4864756 0.68 CYP1A2 (0.38) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL24130978 0.68 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770778-B2 MAP KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; RESTENOSIS, PSORIASIS, AND ATHEROSCLEROSIS TREATMENT; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS PFIZER INC 2004-08-03 US disclosed
US-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNET-LAMBERT COMPANY LLC 2003-12-18 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 (1 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-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters AADAC, EGLN3, HCAR2 ALDH1A1 363/4885KMT2A 1671/4885MEN1 4463/4885

“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.