SCHEMBL19971990

SCHEMBL19971990

COc1cc(O)c(C=O)c(OC)c1.O=Cc1cccc(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.70
TLR2 O60603 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
AURKA O14965 1/20 0.48
TRIM24 O15164 1/20 0.48
TYR P14679 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
RELA Q04206 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
CHRNA7 P36544 1/20 0.44
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL829755 0.84 ERN1 (1.00) ERN1MAOAMAOBAURKATRIM24
SCHEMBL30294862 0.82 ERN1 (0.96) ERN1MAOAMAOBAURKATRIM24
SCHEMBL8704272 0.82 ERN1 (0.77) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28121343 0.79 ERN1 (0.86) ERN1TLR2TLR1TLR6CA1
Guaiacol SCHEMBL28108923 0.78 ERN1 (0.72) ERN1TLR2TLR1TLR6MAOB
Vanillin SCHEMBL28281854 0.75 ALDH1A1 (0.71) ERN1TLR2TLR1TLR6MAOA
SCHEMBL7803326 0.75 ERN1 (0.71) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL15348526 0.74 ERN1 (0.63) ERN1MAOAMAOBABCB1LMNA
SCHEMBL7031594 0.74 ERN1 (0.78) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL36440 0.73 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24

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-10221344-B2 Amine for rapid-curing epoxy resin compositions SIKA TECHNOLOGY AG (CH) 2019-03-05 US disclosed
US-20180079710-A1 AMINE FOR RAPID-CURING EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-03-22 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 (2 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-10221344-B2 Amine for rapid-curing epoxy resin compositions EEF1A1, KDM5B, EEF1A2 ERN1 421/4885TLR2 3256/4885TLR1 1189/4885
US-20180079710-A1 AMINE FOR RAPID-CURING EPOXY RESIN COMPOSITIONS EEF1A1, KDM5B, SEM1 ERN1 433/4885TLR2 3254/4885TLR1 1182/4885

“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.