SCHEMBL6460108

SCHEMBL6460108

COCC(COC)(C(=O)OC)c1ccc(O)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.45
CDK1 P06493 1/20 0.38
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 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
SCHEMBL6688756 0.80 CNR1 (0.54) ERN1CDK1TRIM24TYRTRIM33
SCHEMBL6460766 0.78 ERN1 (0.43) ERN1ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL6465999 0.76 CA12 (0.41) TYRALDH1A1HPGDHSD17B10
SCHEMBL28778264 0.75 ERN1 (0.45) ERN1CDK1TRIM24TYRTRIM33
SCHEMBL25477179 0.71 KCNN4 (0.58) ALDH1A1MAPTKDM4EMEN1CYP2C19
SCHEMBL332380 0.70 MAPT (0.62) ERN1CDK1TRIM24TRIM33ALDH1A1
SCHEMBL209836 0.70 ESR1 (0.55) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL13257343 0.69 ERN1 (0.55) ERN1CDK1TRIM24TRIM33MAPT
SCHEMBL11417093 0.69 MAPT (0.61) ERN1CDK1ALDH1A1MAPTKDM4E
SCHEMBL16130218 0.69 ERN1 (0.50) ERN1CDK1TRIM24TRIM33MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 WO 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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors F7, HABP2, F13B ERN1 3512/4885CDK1 557/4885TRIM24 3583/4885

“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.