SCHEMBL3477937

SCHEMBL3477937

COc1ccc(C=O)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.45
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL13078747 0.84 ERN1 (0.60) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3744167 0.81 ERN1 (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13043498 0.78 ERN1 (0.50) ERN1TLR2TLR1TLR6
SCHEMBL1268203 0.76 ALDH1A1 (0.65) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL13079722 0.74 ERN1 (0.33) ERN1ALDH1A1
SCHEMBL3744230 0.74 ERN1 (0.33) ERN1ALDH1A1
SCHEMBL22974979 0.69 ALDH1A1 (0.50) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28803580 0.68 ALDH1A1 (0.53) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL1527154 0.68 ERN1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3697133 0.66 ALDH1A3 (0.57) ALDH1A1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
WO-2010132570-A1 SYNTHESIS OF MORPHINE AND RELATED DERIVATIVES BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 WO disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine 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 (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-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 ERN1 3315/4885TLR2 1230/4885TLR1 3922/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 ERN1 1030/4885TLR2 2821/4885TLR1 3061/4885

“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.