SCHEMBL2342815

SCHEMBL2342815

CC(=O)OC[C@H]1O[C@@H](OCC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA9 Q16790 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL13875372 1.00 CYP2D6 (0.49) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL13875392 0.90 CYP2D6 (0.48) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL8977510 0.84 TSHR (0.61) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL14257938 0.83 PTPN1 (0.52) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL14257941 0.83 PTPN1 (0.52) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL13890470 0.83 CYP2D6 (0.44) CYP2D6MAPK1TSHRLMNAKMT2A
SCHEMBL23742930 0.81 TSHR (0.64) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL15514610 0.81 TSHR (0.64) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL10359936 0.81 TSHR (0.64) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL8722654 0.81 TSHR (0.64) CYP2D6ALDH1A1MAPK1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513395-B2 Method for the synthesis of anthocyanins BIOSYNTH AS (NO) 2013-08-20 — — US disclosed
EP-1891086-B1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2011-08-24 — — EP disclosed
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2009-04-30 — — US disclosed
EP-1891086-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS Biosynth AS (NO) 2008-02-27 — — EP disclosed
WO-2006134352-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2006-12-21 — — WO 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-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS POR, SPR, G6PD CYP2D6 195/4885ALDH1A1 967/4885MAPK1 741/4885

“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.

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