SCHEMBL128687

SCHEMBL128687

CCCCOC(=O)[CH]CCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TSHR P16473 4/20 0.52
HPGD P15428 1/20 0.52
HCAR2 Q8TDS4 3/20 0.49
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
APP P05067 1/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL127970 0.89 HCAR2 (0.46) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6973751 0.86 ATM (0.46) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL130609 0.83 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL128719 0.83 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6974764 0.81 TDP1 (0.42) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL127528 0.81 ATM (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL131584 0.81 ATM (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL127141 0.81 HCAR2 (0.42) TSHRHCAR2ALDH1A1MAPTNPSR1
SCHEMBL27510969 0.80 ATM (0.74) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL4740627 0.79 ATM (0.61) 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 4 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
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.