SCHEMBL128962

SCHEMBL128962

CCCCC[CH]OCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
CES1 P23141 3/20 0.35
PLA2G4A P47712 2/20 0.35
TSHR P16473 3/20 0.34
MAPT P10636 3/20 0.33
BLM P54132 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PDIA4 P13667 1/20 0.33
PDIA3 P30101 1/20 0.33
PDIA6 Q15084 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MGLL Q99685 1/20 0.33
PLA2G4C Q9UP65 1/20 0.33
TERT O14746 3/20 0.31
HSD17B10 Q99714 2/20 0.31
FABP4 P15090 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 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
SCHEMBL128550 0.93 TSHR (0.33) CES1TSHRALDH1A1
SCHEMBL127741 0.84
SCHEMBL4500168 0.80 BLM (0.38) FAAHTSHRMAPTBLMALDH1A1
SCHEMBL4491454 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL4499319 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL4506306 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL4491770 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL4483153 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL4488320 0.78 BLM (0.41) FAAHTSHRMAPTBLMTERT
SCHEMBL29038223 0.78 FAAH (0.43) FAAHCES1PLA2G4ATSHRMAPT

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 FAAH 403/4885CES1 336/4885PLA2G4A 1665/4885

“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.