SCHEMBL225014

SCHEMBL225014

O=C([O-])c1cc(Br)cc(Br)c1O.O=C([O-])c1cc(Br)cc(Br)c1O.[Cu+2]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 2/20 0.64
AKR1C3 P42330 2/20 0.64
AKR1C2 P52895 2/20 0.64
AKR1C1 Q04828 2/20 0.64
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
CYP2C9 P11712 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 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
SCHEMBL9398453 0.96 AKR1C4 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL9487356 0.96 AKR1C4 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
Potassium Ion SCHEMBL9489269 0.96 AKR1C4 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
Lithium Ion SCHEMBL9019696 0.96 AKR1C4 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
Water SCHEMBL9399160 0.94 AKR1C4 (0.62) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL7182510 0.80 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL29387062 0.78 AKR1C3 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL330545 0.78 AKR1C3 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL895511 0.77 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL11800079 0.77 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003300-A1 Composition Comprising Vascular Endothelial Growth Factor (VEGF) for the Treatment of Hair Loss PANGAEA LABORATORIES LTD 2012-01-05 US claimed
US-20090274677-A1 ANTIOXIDANT FOR USE IN COSMETIC, MEDICATED AND PHARMACEUTICAL PREPARATIONS MEDIK8 LIMITED (GB) 2009-11-05 US claimed
EP-2113242-A1 Antioxidant for use in cosmetic, medicated and pharmaceutical preparations Pangaea Laboratories Limited (GB) 2009-11-04 EP claimed
US-8221746-B2 Antioxidant for use in cosmetic, medicated and pharmaceutical preparations MEDIK8 LIMITED (GB) 2012-07-17 US disclosed
US-20120116295-A1 Topical Growth Factor Application Utilising a Microneedle Array PANGAEA LABORATORIES LTD (GB) 2012-05-10 US disclosed
US-20120003300-A1 Composition Comprising Vascular Endothelial Growth Factor (VEGF) for the Treatment of Hair Loss PANGAEA LABORATORIES LTD 2012-01-05 US disclosed
US-20090274677-A1 ANTIOXIDANT FOR USE IN COSMETIC, MEDICATED AND PHARMACEUTICAL PREPARATIONS MEDIK8 LIMITED (GB) 2009-11-05 US disclosed
EP-2113242-A1 Antioxidant for use in cosmetic, medicated and pharmaceutical preparations Pangaea Laboratories Limited (GB) 2009-11-04 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-20090274677-A1 ANTIOXIDANT FOR USE IN COSMETIC, MEDICATED AND PHARMACEUTICAL PREPARATIONS CAT, SOD3, GPX1 AKR1C4 1915/4885AKR1C3 1870/4885AKR1C2 1418/4885

“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.