SCHEMBL128719

SCHEMBL128719

CCCC[CH]C(=O)OCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
TSHR P16473 5/20 0.61
HPGD P15428 1/20 0.61
HCAR2 Q8TDS4 4/20 0.57
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.42
APP P05067 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3772230 0.94 HCAR2 (0.58) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL131584 0.94 ATM (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6931235 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL4740627 0.92 ATM (0.61) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL2485450 0.92 ATM (0.61) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL130828 0.91 ATM (0.54) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL130609 0.91 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL7289693 0.88 ATM (0.57) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8815436 0.88 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL5164772 0.88 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1

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-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 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 ATM 3121/4885TSHR 1420/4885HPGD 450/4885

“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.