SCHEMBL4456289

SCHEMBL4456289

O=Cc1cc(O)ccc1O.[Fe]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.59
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
EGFR P00533 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CDK1 P06493 1/20 0.52
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50

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
SCHEMBL36835 0.98 ERN1 (0.61) ERN1ALDH1A1MAPTKDM4EEGFR
Hydroquinone SCHEMBL11562733 0.95 ERN1 (0.59) ERN1ALDH1A1MAPTKDM4EEGFR
Formamide SCHEMBL28912568 0.91 ERN1 (0.55) ERN1ALDH1A1MAPTKDM4EEGFR
Formaldehyde SCHEMBL28912569 0.91 ERN1 (0.55) ERN1ALDH1A1MAPTKDM4EEGFR
Sulfurous Acid SCHEMBL11594092 0.89 ERN1 (0.53) ERN1ALDH1A1MAPTKDM4EEGFR
SCHEMBL29082634 0.84 TRIM24 (0.50) ERN1ALDH1A1MAPTKDM4EEGFR
Glycine SCHEMBL28062857 0.82 ERN1 (0.47) ERN1ALDH1A1MAPTKDM4EEGFR
SCHEMBL6640732 0.80 ERN1 (0.70) ERN1
SCHEMBL29952866 0.80 TRIM24 (0.47) ERN1ALDH1A1MAPTKDM4EEGFR
SCHEMBL7913737 0.80 TRIM24 (0.47) ERN1ALDH1A1MAPTKDM4EEGFR

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
EP-2015647-A2 IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS UNILEVER N.V. (NL) 2009-01-21 EP disclosed
WO-2006037449-A2 IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS UNILEVER N.V. (NL) 2006-04-13 WO disclosed
US-20060078594-A1 Iron complex CONOPCO, INC., D/B/A UNILEVER 2006-04-13 US 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-20060078594-A1 Iron complex SLC40A1, FECH, TFRC ERN1 4428/4885ALDH1A1 3385/4885MAPT 3579/4885

“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.