SCHEMBL3754539

SCHEMBL3754539

CCOC(CBr)Oc1c(OC)ccc(C=O)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.35
ERN1 O75460 2/20 0.32
TUBB1 Q9H4B7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL13078743 0.92 PREP (0.35) PREPERN1TUBB1ALDH1A1
SCHEMBL14980271 0.88 ALDH1A1 (0.38) ERN1TUBB1ALDH1A1
SCHEMBL3744230 0.88 ERN1 (0.33) ERN1ALDH1A1
SCHEMBL13043499 0.84 ALDH1A1 (0.34) ERN1ALDH1A1
SCHEMBL13079722 0.78 ERN1 (0.33) ERN1ALDH1A1
SCHEMBL13079249 0.78 ALDH1A1 (0.38) ERN1TUBB1ALDH1A1
SCHEMBL3744167 0.75 ERN1 (0.43) PREPERN1ALDH1A1
SCHEMBL5139277 0.68 ALDH1A1 (0.40) ERN1ALDH1A1DRD2
SCHEMBL22230872 0.67 ALDH1A1 (0.40) ERN1TUBB1ALDH1A1
SCHEMBL5383976 0.67 ALDH1A1 (0.63) ERN1ALDH1A1

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 4 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-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

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-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 PREP 2012/4885ERN1 1030/4885TUBB1 2874/4885

“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.