SCHEMBL13875363

SCHEMBL13875363

CC(=O)OCC1OC(OCC(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PAX8 Q06710 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
SCHEMBL13890462 0.86 CNR1 (0.40) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL8977510 0.84 TSHR (0.61) TSHRLMNAKMT2ACYP2D6PRKCA
SCHEMBL12450820 0.84 CNR1 (0.39) TSHRLMNACA2
SCHEMBL12450812 0.81 PTPN1 (0.56) TSHRCYP2D6THRBHSD17B10CA2
SCHEMBL13875392 0.78 CYP2D6 (0.48) TSHRLMNAKMT2ACYP2D6PRKCA
SCHEMBL2342815 0.76 CYP2D6 (0.49) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL13875372 0.76 CYP2D6 (0.49) TSHRLMNAKMT2ACYP2D6THRB
SCHEMBL23742930 0.74 TSHR (0.64) TSHRLMNAKMT2ACYP2D6PRKCA
SCHEMBL15514610 0.74 TSHR (0.64) TSHRLMNAKMT2ACYP2D6PRKCA
SCHEMBL8722654 0.74 TSHR (0.64) TSHRLMNAKMT2ACYP2D6PRKCA

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-8513395-B2 Method for the synthesis of anthocyanins BIOSYNTH AS (NO) 2013-08-20 — — US disclosed
US-8513395-B2 Method for the synthesis of anthocyanins BIOSYNTH AS (NO) 2013-08-20 — — US disclosed
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2009-04-30 — — US disclosed
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2009-04-30 — — 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-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS POR, SPR, G6PD TSHR 4373/4885LMNA 2745/4885KMT2A 1543/4885

“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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