SCHEMBL6465529

SCHEMBL6465529

COCCOCOc1ccc(C=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CTNNB1 P35222 1/20 0.43
TP53 P04637 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
PPARA Q07869 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6464106 0.88 NR1H4 (0.56) MAPTKMT2AKDM4ELMNAHSP90AA1
SCHEMBL6464103 0.87 MAPT (0.44) MAPTKMT2AKDM4ELMNAHSP90AA1
SCHEMBL5750014 0.79 THRB (0.59) MAPTKMT2AKDM4EMEN1PPARA
SCHEMBL7663462 0.79 THRB (0.59) MAPTKMT2AKDM4EMEN1PPARA
SCHEMBL19994224 0.78 TP53 (0.53) TP53NR1H4
SCHEMBL1524953 0.78 ALDH1A1 (0.52) MAPTKMT2AKDM4ELMNACTNNB1
SCHEMBL11250951 0.78 NR1H4 (0.55) MAPTKMT2AKDM4ELMNATP53
SCHEMBL10477124 0.77 FDPS (0.49) CTNNB1TDP1PPARA
SCHEMBL1503531 0.76 PKM (0.56) CTNNB1TP53MAPK1
SCHEMBL6536139 0.76 TP53 (0.53) TP53NR1H4PPARA

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 MAPT 4657/4885KMT2A 1487/4885KDM4E 866/4885

“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.