SCHEMBL127970

SCHEMBL127970

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
ATM Q13315 1/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
APP P05067 1/20 0.34
ALOX5 P09917 1/20 0.33
ACHE P22303 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL128687 0.89 ATM (0.55) HCAR2ATMTSHRHPGDTDP1
SCHEMBL6974764 0.85 TDP1 (0.42) HCAR2ATMTSHRHPGDTDP1
SCHEMBL127141 0.84 HCAR2 (0.42) HCAR2TSHRTDP1LMNAALOX15
SCHEMBL127994 0.82 TSHR (0.57) TSHRHPGDTDP1LMNAACHE
SCHEMBL6973751 0.81 ATM (0.46) HCAR2ATMTSHRHPGDTDP1
SCHEMBL126105 0.81 HCAR2 (0.54) HCAR2ATMTSHRHPGDTDP1
SCHEMBL127982 0.80 HCAR2 (0.48) HCAR2ATMTSHRHPGDTDP1
SCHEMBL130828 0.78 ATM (0.54) HCAR2ATMTSHRHPGDAPP
SCHEMBL2413042 0.76 HCAR2 (0.48) HCAR2ATMTSHRHPGDTDP1
SCHEMBL6969651 0.76 TDP1 (0.44) HCAR2ATMTSHRHPGDTDP1

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 HCAR2 99/4885ATM 3121/4885TSHR 1420/4885

“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.