SCHEMBL13065614

SCHEMBL13065614

COc1c2oc3cc(N(C)C)ccc3nc-2c(C(=O)O)c(-c2ccc(C(=O)O)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
TOP1 P11387 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
SLC16A3 O15427 1/20 0.36
DHODH Q02127 1/20 0.36
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD1 P21728 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16784716 0.93 SLC16A3 (0.36) BCL9CTNNB1SLC16A3DHODHALDH1A1
SCHEMBL16784718 0.93 MAPT (0.41) SLC16A3DHODHALDH1A1CYP3A4CYP2C9
SCHEMBL13065626 0.92 DHODH (0.43) BCL9CTNNB1SLC16A3DHODHHPSE
SCHEMBL13065604 0.90 MEN1 (0.41) BCL9CTNNB1GPR119SLC16A3DHODH
SCHEMBL13065592 0.89 SLC16A3 (0.34) SLC16A3DHODHPDE4DALDH1A1MAPT
SCHEMBL16784714 0.86 GPR35 (0.41) DHODHALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL13065736 0.84 BCL9 (0.44) BCL9CTNNB1DHODHALDH1A1CYP3A4
SCHEMBL13065624 0.83 DHODH (0.42) SLC16A3DHODHALDH1A1HTTMAPT
SCHEMBL13065593 0.83 MEN1 (0.41) SLC16A3DHODHALDH1A1CYP2C19HTT
SCHEMBL13065602 0.83 SCP2 (0.44) SLC16A3ALDH1A1CYP3A4HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9052324-B2 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. (US) 2015-06-09 US disclosed
US-20120322717-A9 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. 2012-12-20 US disclosed
US-20100298200-A1 Compounds and assays for controlling Wnt activity LIU DAKAI 2010-11-25 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 (2 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-20120322717-A9 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 BCL9 1612/4885CTNNB1 9/4885TOP1 4169/4885
US-20100298200-A1 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 BCL9 1612/4885CTNNB1 9/4885TOP1 4169/4885

“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.