SCHEMBL12450814

SCHEMBL12450814

O=C(CBr)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.56
CTNNB1 P35222 5/20 0.56
WNT3A P56704 4/20 0.56
PTPN1 P18031 3/20 0.47
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13875364 0.87 CNR1 (0.58) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL12450809 0.85 CNR1 (0.56) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL12450018 0.85 CNR1 (0.56) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL6812882 0.85 CNR1 (0.56) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL8728950 0.83 CNR1 (0.63) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL30257325 0.83 CNR1 (0.63) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL9040996 0.81 CNR1 (0.62) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL8728849 0.80 CNR1 (0.60) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL9144238 0.80 CNR1 (0.60) CNR1CTNNB1WNT3ASRD5A1SRD5A2
SCHEMBL2647988 0.80 CTNNB1 (0.55) CTNNB1WNT3APTPN1GSK3B

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
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
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 CNR1 3919/4885CTNNB1 3942/4885WNT3A 2900/4885

“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.