SCHEMBL128963

SCHEMBL128963

CCCCCCOCC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.64
PLA2G2C Q5R387 1/20 0.54
CES2 O00748 4/20 0.53
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
FAAH O00519 7/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL19043522 1.00 CES1 (0.64) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL28006923 1.00 CES1 (0.64) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL28022193 1.00 CES1 (0.64) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL28022170 1.00 CES1 (0.64) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL128551 0.98 CES1 (0.61) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL127742 0.90 CES1 (0.52) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL28349199 0.88 CES1 (0.53) CES1PLA2G2CCES2FAAH
Fluoride SCHEMBL27418704 0.88 CES1 (0.50) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL15823328 0.87 CES1 (0.46) CES1PLA2G2CCES2HSD17B10TSHR
SCHEMBL28346432 0.84 CES1 (0.49) CES1PLA2G2CMAPTALDH1A1FAAH

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 CES1 336/4885PLA2G2C 2106/4885CES2 190/4885

“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.