SCHEMBL128510

SCHEMBL128510

CCCCC[CH]C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
MAPT P10636 1/20 0.41
DGKA P23743 1/20 0.40
ATM Q13315 1/20 0.39
FAAH O00519 4/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKCA P17252 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL27859460 0.98 TSHR (0.50) TSHRMAPTDGKAFAAHHCAR2
SCHEMBL129292 0.94 TSHR (0.53) TSHRMAPTDGKAATMHCAR2
SCHEMBL127788 0.86 TSHR (0.57) TSHRMAPTATMHCAR2
SCHEMBL131145 0.82 FAAH (0.49) TSHRMAPTATMFAAHHCAR2
SCHEMBL15366239 0.80 MAPT (0.53) TSHRMAPTDGKAFAAHHCAR2
SCHEMBL8764544 0.80 MAPT (0.53) TSHRMAPTDGKAFAAHHCAR2
SCHEMBL15366242 0.80 MAPT (0.53) TSHRMAPTDGKAFAAHHCAR2
SCHEMBL11475767 0.80 FAAH (0.51) TSHRMAPTATMFAAHHCAR2
SCHEMBL11378992 0.80 FAAH (0.51) TSHRMAPTATMFAAHHCAR2
SCHEMBL131584 0.80 ATM (0.63) TSHRMAPTATMFAAHHCAR2

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-102271732-A Nanochannel devices and related methods 2011-12-07 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 TSHR 1420/4885MAPT 4877/4885DGKA 3277/4885

“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.