SCHEMBL13078747

SCHEMBL13078747

COc1ccc(-c2c(C=O)ccc(OC)c2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.60
ALDH1A1 P00352 2/20 0.51
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL13043498 0.88 ERN1 (0.50) ERN1TLR2TLR1TLR6
SCHEMBL3477937 0.84 ERN1 (0.45) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL3744167 0.83 ERN1 (0.43) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28803580 0.83 ALDH1A1 (0.53) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL5144556 0.79 ERN1 (0.56) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL1527154 0.76 ERN1 (0.69) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL12766863 0.75 ERN1 (1.00) ERN1
SCHEMBL28803582 0.74 ALDH1A1 (0.59) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL13752271 0.73 MGAM (0.53) ERN1ALDH1A1LMNA
SCHEMBL13605931 0.73 ERN1 (0.59) ERN1ALDH1A1TRIM24TYRTRIM33

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
US-8450365-B2 Efficient synthesis of galanthamine BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-28 US disclosed
US-8362283-B2 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 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-20100292466-A1 Efficient Synthesis Of Galanthamine GALR2, GALR1, OPRK1 ERN1 1917/4885ALDH1A1 1200/4885TRIM24 466/4885

“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.