SCHEMBL6703129

SCHEMBL6703129

CC(C)(O)C(C)(C)OB(O)c1ccc(Oc2ccccc2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
TTR P02766 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ERN1 O75460 1/20 0.37
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL6702103 0.84 MEN1 (0.43) LMNAKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6696220 0.81 RIPK1 (0.40) TTRCA1CA2RIPK1
SCHEMBL6703150 0.80 RIPK1 (0.39) TTRNPSR1CA1CA2RIPK1
SCHEMBL16752320 0.79 CA1 (0.53) LMNAKMT2AALDH1A1CA1CA2
SCHEMBL1129059 0.77 CA1 (0.45) LMNAKMT2AGAAALDH1A1CYP2C9
SCHEMBL6698447 0.77 ERN1 (0.33) ERN1
SCHEMBL18580455 0.76 ALDH1A1 (0.46) LMNAALDH1A1ERN1HPGDKDM4E
SCHEMBL18580300 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18580543 0.75 TYR (0.44) ERN1CA1CA2MAPTPOLB
SCHEMBL18580552 0.74 TRIM24 (0.30)

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-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor TRIGEN LIMITED (GB) 2004-11-25 US disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 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-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor SERPINB1, SPINT2, CTRL LMNA 1148/4885KMT2A 3131/4885GAA 444/4885

“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.