SCHEMBL5799404

SCHEMBL5799404

O=C(COC1CCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL27878732 0.98 KMT2A (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL13623506 0.93 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4727617 0.85 CYP1A2 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10831151 0.83 PRMT5 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7420274 0.83 MAPT (0.51) KMT2AL3MBTL1TDP1KDM4EMAPT
SCHEMBL7420272 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4776765 0.78 MEN1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5007090 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5007086 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL17281354 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204494-B Oxygen-substituted phenylimidazole XOR/URAT1 dual inhibitor and preparation and application thereof 华南理工大学 2023-03-24 CN disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 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 (2 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS ALDH1A1 848/4885MEN1 2019/4885KMT2A 2596/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS ALDH1A1 847/4885MEN1 2653/4885KMT2A 2890/4885

“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.