SCHEMBL5771988

SCHEMBL5771988

COC(=O)COc1c(C=O)cc(OC2CCCCO2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 3/20 0.38
PDE4B Q07343 2/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5773668 0.79 PTPN1 (0.40) PTPN1ALDH1A1PDE4BPOLB
SCHEMBL14611091 0.72 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL30705020 0.72 PDE4B (0.39) PTPN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL322371 0.71 PDE4B (0.42) PTPN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8161677 0.71 PDE4B (0.42) PTPN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8160435 0.70 PTPN1 (0.40) PTPN1ALDH1A1MEN1KMT2APDE4B
SCHEMBL7197937 0.70 PTPN1 (0.40) PTPN1ALDH1A1MEN1KMT2APDE4B
SCHEMBL29311949 0.70 PDE4B (0.38) PTPN1PDE4B
SCHEMBL3912235 0.69 ALDH1A1 (0.46) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5863691 0.69 ALDH1A1 (0.42) PTPN1ALDH1A1CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078541-B2 Benzofuran derivatives GALILEO PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1472241-A4 CYTOPROTECTIVE BENZOFURAN DERIVATIVES GALILEO PHARMACEUTICALS INC (US) 2005-06-29 EP disclosed
WO-2005027900-A1 BENZOFURAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
EP-1472241-A1 CYTOPROTECTIVE BENZOFURAN DERIVATIVES Galileo Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040063975-A1 Benzofuran derivatives EDISON PHARMACEUTICALS, INC. 2004-04-01 US disclosed
US-6653346-B1 Amtiischemic and antiinflammatory agents GALILEO PHARMACEUTICALS, INC. 2003-11-25 US disclosed
WO-2003066618-A1 CYTOPROTECTIVE BENZOFURAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2003-08-14 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-20040063975-A1 Benzofuran derivatives NDUFAB1, AIFM1, NDUFAF1 PTPN1 4821/4885ALDH1A1 404/4885CYP1A2 1084/4885

“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.