SCHEMBL6579486

SCHEMBL6579486

CCOC(=O)COc1ccc2cc(Br)ccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.55
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 4/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL5335756 0.87 RXFP1 (0.56) NCEH1ALDH1A1KMT2AMEN1HPGD
SCHEMBL27710071 0.82 F9 (0.53) ALDH1A1HPGDKDM4ENPSR1POLB
SCHEMBL4303747 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL16559854 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL4517104 0.78 MEN1 (0.57) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL12611682 0.77 GAA (0.55) NCEH1ALDH1A1KMT2AMEN1HPGD
SCHEMBL30350771 0.77 GAA (0.55) NCEH1ALDH1A1KMT2AMEN1HPGD
SCHEMBL27642138 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL13903614 0.76 PTGDR2 (0.50) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL14376152 0.76 NCEH1 (0.52) NCEH1ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 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-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 NCEH1 76/4885ALDH1A1 1108/4885KMT2A 4201/4885

“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.