SCHEMBL3202842

SCHEMBL3202842

COCCOc1ccc(C=CC(=O)O)c(OC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
ERBB2 P04626 1/20 0.41
MAPT P10636 4/20 0.40
APP P05067 3/20 0.40
PPARG P37231 1/20 0.40
PTGDR Q13258 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GAA P10253 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MET P08581 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL3202826 1.00 HDAC8 (0.43) HDAC8ERBB2MAPTAPPPPARG
SCHEMBL27716262 0.88 FDPS (0.43) HDAC8ERBB2MAPTAPPPPARG
SCHEMBL3205195 0.86 PARP10 (0.48) HDAC8MAPTPOLBMEN1ALDH1A1
SCHEMBL3205183 0.86 PARP10 (0.48) HDAC8MAPTPOLBMEN1ALDH1A1
SCHEMBL3217780 0.83 PDE4B (0.46) ERBB2PDE4APDE4BPDE4CPDE4D
SCHEMBL3217772 0.83 PDE4B (0.46) ERBB2PDE4APDE4BPDE4CPDE4D
SCHEMBL3216053 0.82 HDAC8 (0.47) HDAC8MAPTPPARGPOLBMEN1
SCHEMBL3216064 0.82 HDAC8 (0.47) HDAC8MAPTPPARGPOLBMEN1
SCHEMBL3218950 0.80 PPARG (0.66) HDAC8PPARG
SCHEMBL3218961 0.80 PPARG (0.66) HDAC8PPARG

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 HDAC8 789/4885ERBB2 3997/4885MAPT 4588/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 HDAC8 663/4885ERBB2 3683/4885MAPT 4612/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HDAC8 789/4885ERBB2 3997/4885MAPT 4588/4885

“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.