SCHEMBL4891121

SCHEMBL4891121

CC(=O)OCc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
PTPN1 P18031 1/20 0.47
BRD4 O60885 1/20 0.45
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.41
PPIA P62937 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PRKCA P17252 1/20 0.41
KCNA2 P16389 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNA1 Q09470 1/20 0.40
LIPE Q05469 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4687273 0.92 ALDH1A1 (0.53) ALDH1A1PTPN1BRD4MAPTTDP1
SCHEMBL4153190 0.92 ALDH1A1 (0.47) ALDH1A1PTPN1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10922825 0.86 ALDH1A1 (0.55) ALDH1A1PTPN1BRD4MAPTTDP1
SCHEMBL4898090 0.80 LTA4H (0.45) MAPTTDP1L3MBTL1CYP2C19PPIA
SCHEMBL10247054 0.77 PTPN1 (0.55) ALDH1A1PTPN1BRD4MAPTTDP1
SCHEMBL9740768 0.77 ALDH1A1 (0.47) ALDH1A1PTPN1BRD4MAOBLMNA
SCHEMBL9654512 0.77 LTA4H (0.45) MAPTTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8502633 0.76 ALDH1A1 (0.49) ALDH1A1PTPN1BRD4MAPTTDP1
SCHEMBL4890014 0.76 KDM4E (0.47) ALDH1A1BRD4PPIAHPGDSGMS2
Hydrochloric Acid SCHEMBL9683438 0.76 LTA4H (0.44) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2

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
US-20080200520-A1 Iron Modulators BTG INTERNATIONAL LIMITED 2008-08-21 US disclosed
WO-2006103463-A1 IRON MODULATORS BTG INTERNATIONAL LIMITED (GB) 2006-10-05 WO disclosed
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP 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-20080200520-A1 Iron Modulators SLC40A1, HAMP, FTH1 ALDH1A1 2218/4885PTPN1 4562/4885BRD4 3974/4885

“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.