SCHEMBL6464822

SCHEMBL6464822

COCOc1ccc(F)cc1-c1cc(C(COC)(COC)C(=O)OC)cc(C=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 3/20 0.33
EGFR P00533 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
SCHEMBL6463547 0.92 ERN1 (0.42) ERN1ALDH1A1MAPTBACE1EGFR
SCHEMBL6683960 0.88 ERN1 (0.46) ERN1ALDH1A1MAPTBACE1EGFR
SCHEMBL6462608 0.77 ERN1 (0.38) ERN1ALDH1A1MAPTEGFR
SCHEMBL6460766 0.72 ERN1 (0.43) ERN1ALDH1A1MAPT
SCHEMBL31254214 0.71 ALDH1A1 (0.55) ERN1ALDH1A1MAPTBACE1
SCHEMBL8686048 0.71 ALDH1A1 (0.55) ERN1ALDH1A1MAPTBACE1
SCHEMBL6460108 0.69 ERN1 (0.45) ERN1ALDH1A1MAPTEGFR
SCHEMBL6684140 0.68 PTGDR2 (0.38) ERN1
SCHEMBL16815269 0.66 ALDH1A1 (0.43) ERN1ALDH1A1MAPTBACE1
SCHEMBL16097864 0.65 ERN1 (0.44) ERN1ALDH1A1MAPTBACE1

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 3512/4885ALDH1A1 1830/4885MAPT 4657/4885

“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.