SCHEMBL128695

SCHEMBL128695

CCCCOC(=O)c1cc[c]s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ESR1 P03372 8/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL127177 0.90 ALDH1A1 (0.49) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL127564 0.83 HDAC3 (0.46) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL8549818 0.78 TSHR (0.59) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL8549821 0.72 TSHR (0.53) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL9499276 0.72 KMT2A (0.62) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL15888248 0.72 TSHR (0.53) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL131778 0.71 ESR1 (0.67) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL8545705 0.71 ALDH1A1 (0.62) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL29224869 0.71 ALDH1A1 (0.62) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL37476 0.71 ESR1 (0.85) TSHRL3MBTL1TDP1ESR1LMNA

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 TSHR 1420/4885L3MBTL1 2482/4885TDP1 4125/4885

“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.