SCHEMBL3218876

SCHEMBL3218876

COCCOc1ccc(/C=C/C(=O)O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.45
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 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
SCHEMBL3218881 1.00 GAA (0.46) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3218889 1.00 GAA (0.46) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL27716402 0.88 MAPT (0.48) MAPTHDAC8MEN1KMT2ACYP1A2
SCHEMBL3210405 0.85 PPARG (0.44) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3210412 0.85 PPARG (0.44) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3210393 0.85 PPARG (0.44) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3204757 0.84 GAA (0.49) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3204781 0.84 GAA (0.49) GAAMAPTHDAC8MEN1KMT2A
SCHEMBL3206835 0.82 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL3206821 0.82 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT

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-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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 GAA 208/4885MAPT 4588/4885HDAC8 789/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 GAA 329/4885MAPT 4612/4885HDAC8 663/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 GAA 208/4885MAPT 4588/4885HDAC8 789/4885

“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.