SCHEMBL6465725

SCHEMBL6465725

CCOC(=O)C(CC(=O)O)c1ccc(OCOCCOC)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
FFAR1 O14842 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTNNB1 P35222 1/20 0.38

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
SCHEMBL6390492 0.81 FFAR1 (0.50) TDP1POLBL3MBTL1MMP9MMP8
SCHEMBL6465718 0.80 L3MBTL1 (0.40) TDP1POLBL3MBTL1MMP9MMP8
SCHEMBL6465654 0.76 FFAR1 (0.47) TDP1POLBL3MBTL1FFAR1KMT2A
SCHEMBL6390982 0.75 ESR1 (0.47) TDP1POLBL3MBTL1MMP9MMP8
SCHEMBL1545922 0.75 MMP8 (0.53) MMP8SMN1; SMN2MEN1KMT2A
SCHEMBL8400523 0.74 TDP1 (0.55) TDP1L3MBTL1SMN1; SMN2LMNACTNNB1
SCHEMBL659191 0.74 L3MBTL1 (0.52) TDP1POLBL3MBTL1FFAR1MEN1
SCHEMBL6321166 0.74 ALDH1A1 (0.50) TDP1POLBL3MBTL1MMP9MMP8
SCHEMBL1586362 0.71 PLA2G4B (0.50) POLBL3MBTL1LMNACTNNB1
SCHEMBL1503531 0.70 PKM (0.56) POLBL3MBTL1SMN1; SMN2TP53MAPK1

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 TDP1 3859/4885POLB 2396/4885L3MBTL1 3322/4885

“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.