SCHEMBL129089

SCHEMBL129089

CCOC(=O)c1cc(Br)n(COCC[Si](C)(C)C)c1COC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
ESR1 P03372 2/20 0.35
SMAD3 P84022 1/20 0.35
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 4/20 0.34
POLB P06746 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 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
SCHEMBL27756260 0.86 NPC1 (0.36) NPC1POLB
SCHEMBL128737 0.81 NPC1 (0.34) HSD17B10KDM4ENPC1MAPTKMT2A
SCHEMBL127691 0.80 TSHR (0.48) HSD17B10KDM4EMAPTKMT2ANPSR1
SCHEMBL128691 0.77 DGAT1 (0.39) HSD17B10KDM4EESR1ALDH1A1TSHR
SCHEMBL21712907 0.74 IDO1 (0.37) KDM4ENPC1MAPTKMT2AALDH1A1
SCHEMBL16396093 0.73 MAPT (0.36) KDM4ENPC1MAPTKMT2AALDH1A1
SCHEMBL949202 0.73 TSHR (0.39) HSD17B10KDM4ENPC1MAPTKMT2A
SCHEMBL20028126 0.72 CA12 (0.39) HSD17B10KDM4ENPC1MAPTKMT2A
SCHEMBL4110150 0.72 L3MBTL1 (0.49) HSD17B10KDM4EMAPTKMT2ANPSR1
SCHEMBL16396084 0.71 IDO1 (0.41) HSD17B10KDM4ENPC1MAPTKMT2A

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 HSD17B10 76/4885KDM4E 1902/4885NPC1 1907/4885

“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.