SCHEMBL128928

SCHEMBL128928

CCCC[CH]C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HCAR2 Q8TDS4 2/20 0.42
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.36
HPGD P15428 2/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
ALOX15 P16050 1/20 0.34
CTSK P43235 2/20 0.33
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL126207 0.94 LMNA (0.50) LMNAHCAR2HPGDALOX15MAPT
SCHEMBL5076270 0.92 LMNA (0.53) LMNAATMTSHRF7F3
SCHEMBL127506 0.87 HCAR2 (0.45) LMNAHCAR2ATMTSHRCA12
SCHEMBL1881570 0.80 HCAR2 (0.48) LMNAHCAR2ATMHPGDF7
SCHEMBL8897612 0.79 TSHR (0.38) LMNATSHRCTSK
SCHEMBL131152 0.78
SCHEMBL129292 0.78 TSHR (0.53) LMNAHCAR2ATMTSHRHPGD
SCHEMBL2406517 0.77 HCAR2 (0.43) LMNAHCAR2TSHRCA12AKR1B10
SCHEMBL131028 0.77 HCAR2 (0.43) LMNAHCAR2TSHRCA12AKR1B10
SCHEMBL8893919 0.76 CNR2 (0.39) LMNATSHRHPGDCTSKMAPT

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 6 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
US-4518605-A Fungicidal azole-substituted oximino-cyano-acetamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 US disclosed
US-4478848-A Combating fungi with substituted anilinomethylene-oximes BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US 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 LMNA 1679/4885HCAR2 99/4885ATM 3121/4885

“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.