SCHEMBL4456426

SCHEMBL4456426

COc1ccc(C=O)c(O)c1.[Fe]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.96
TRIM24 O15164 1/20 0.96
TRIM33 Q9UPN9 1/20 0.96
ERN1 O75460 4/20 0.70
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
AR P10275 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 2/20 0.50
GSK3B P49841 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL133876 0.98 TYR (1.00) TYRTRIM24TRIM33ERN1ALDH1A1
Hydrogen Sulfide SCHEMBL28156220 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL28337239 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL28150290 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL11420339 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
Formaldehyde SCHEMBL28559418 0.93 TYR (0.89) TYRTRIM24TRIM33ERN1ALDH1A1
Formamide SCHEMBL28559416 0.93 TYR (0.89) TYRTRIM24TRIM33ERN1ALDH1A1
Alcohol SCHEMBL28458502 0.91 TYR (0.86) TYRTRIM24TRIM33ERN1ALDH1A1
Acetonitrile SCHEMBL29178537 0.90 TYR (0.83) TYRTRIM24TRIM33ERN1ALDH1A1
Bicarbonate SCHEMBL28156948 0.90 TYR (0.83) TYRTRIM24TRIM33ERN1ALDH1A1

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 TYR 1005/4885TRIM24 1514/4885TRIM33 725/4885

“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.