SCHEMBL13875392

SCHEMBL13875392

CC(=O)OCC1OC(OCC(=O)c2ccc(C)c(OCc3ccccc3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA9 Q16790 4/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL2342815 0.90 CYP2D6 (0.49) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL13875372 0.90 CYP2D6 (0.49) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL8977510 0.82 TSHR (0.61) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL8722654 0.80 TSHR (0.64) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL15514610 0.80 TSHR (0.64) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL23742930 0.80 TSHR (0.64) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL8722653 0.80 TSHR (0.64) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL10359936 0.80 TSHR (0.64) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL8907465 0.79 TSHR (0.58) CYP2D6MAPK1ALDH1A1TSHRLMNA
SCHEMBL20483621 0.79 TSHR (0.58) CYP2D6MAPK1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2D6 195/4885MAPK1 741/4885ALDH1A1 967/4885

“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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