SCHEMBL127772

SCHEMBL127772

CCOC(=O)c1ccn(COCc2ccccc2)c1COC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NMT1 P30419 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9918732 0.83 ALDH1A1 (0.47) TSHRCRHBPCRHR2HSD17B10KDM4E
SCHEMBL130676 0.81 TSHR (0.43) TSHRCRHBPCRHR2HSD17B10KDM4E
SCHEMBL12832721 0.80 TSHR (0.42) TSHRCRHBPCRHR2HSD17B10KDM4E
SCHEMBL128691 0.80 DGAT1 (0.39) TSHRHSD17B10KDM4EALDH1A1
SCHEMBL9918734 0.78 TSHR (0.43) TSHRCRHBPCRHR2KDM4EALDH1A1
SCHEMBL127691 0.78 TSHR (0.48) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL9921769 0.78 TSHR (0.38) TSHRCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL16415457 0.76 TSHR (0.48) TSHRCRHBPCRHR2HSD17B10KDM4E
SCHEMBL16640636 0.73 TSHR (0.43) TSHRCRHBPCRHR2KDM4EALDH1A1
SCHEMBL9918733 0.73 GAA (0.42) HSD17B10KDM4EALDH1A1CYP3A4MAPK1

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 TSHR 1420/4885CRHBP 1779/4885CRHR2 250/4885

“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.