SCHEMBL1637980

SCHEMBL1637980

COc1ccc(C=O)c(Br)c1O.COc1ccc(C=O)c(Br)c1O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.59
TLR2 O60603 1/20 0.58
TLR1 Q15399 1/20 0.58
TLR6 Q9Y2C9 1/20 0.58
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
AOX1 Q06278 1/20 0.44

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
SCHEMBL149415 1.00 ERN1 (0.59) ERN1TLR2TLR1TLR6PRKDC
Isovanillin SCHEMBL3664249 0.87 ALDH1A1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5069879 0.85 ERN1 (0.58) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL1527154 0.82 ERN1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3747172 0.80 ERN1 (0.45) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL31366778 0.80 NFE2L2 (0.54) ERN1ALDH1A1
SCHEMBL30928251 0.80 NFE2L2 (0.54) ERN1ALDH1A1
SCHEMBL148284 0.79 PRKDC (0.48) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL13605931 0.79 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL8043039 0.79 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981939-B2 Application of 2-bromide-isovanillin for the manufacture of a medicament for anti-cancer or/and radiation/chemotherapy sensitization INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2011-07-19 US disclosed
US-20110098362-A9 Application of 2-bromide-isovanillin for the manufacture of a medicament for anti-cancer or/and radiation/chemotherapy sensitization INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2011-04-28 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-20110098362-A9 Application of 2-bromide-isovanillin for the manufacture of a medicament for anti-cancer or/and radiation/chemotherapy sensitization BCL2, BCL2L2, BAD ERN1 4304/4885TLR2 461/4885TLR1 2045/4885

“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.