SCHEMBL3210405

SCHEMBL3210405

COCCOc1ccc(/C=C/C(=O)O)c(Oc2ncc([N+](=O)[O-])cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3210412 1.00 PPARG (0.44) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3210393 1.00 PPARG (0.44) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3218889 0.85 GAA (0.46) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3218881 0.85 GAA (0.46) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3218876 0.85 GAA (0.46) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3205613 0.85 PPARG (0.47) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3199101 0.85 PPARG (0.49) PPARGKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3199078 0.85 PPARG (0.49) PPARGKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3205624 0.85 PPARG (0.47) PPARGMAPTKMT2ACYP2C9CYP2C19
SCHEMBL3208042 0.82 PPARG (0.70) PPARGMAPTKMT2ACYP2C9CYP2C19

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-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885MAPT 4588/4885KMT2A 2787/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885MAPT 4612/4885KMT2A 2989/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885MAPT 4588/4885KMT2A 2787/4885

“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.