SCHEMBL3744167

SCHEMBL3744167

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.43
PREP P48147 4/20 0.42
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
ALDH1A1 P00352 1/20 0.38
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 0.83 ERN1 (0.60) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3477937 0.81 ERN1 (0.45) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13043498 0.77 ERN1 (0.50) ERN1TLR2TLR1TLR6
SCHEMBL5383976 0.76 ALDH1A1 (0.63) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL3754539 0.75 PREP (0.35) ERN1PREPALDH1A1
SCHEMBL13078743 0.74 PREP (0.35) ERN1PREPALDH1A1
SCHEMBL23263 0.73 ALDH1A1 (0.50) ERN1PREPALDH1A1TRIM24TYR
SCHEMBL4823242 0.72 LMNA (0.43) ERN1ALDH1A1
SCHEMBL5139277 0.72 ALDH1A1 (0.40) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL7618394 0.72 TYR (0.58) ERN1PREPALDH1A1TRIM24TYR

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-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US 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

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 3315/4885PREP 1414/4885TLR2 1230/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 ERN1 1030/4885PREP 2012/4885TLR2 2821/4885

“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.