SCHEMBL127443

SCHEMBL127443

[CH2]c1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MAP4K4 O95819 1/20 0.38
SRD5A2 P31213 1/20 0.36
CYP26A1 O43174 2/20 0.36
CYP26B1 Q9NR63 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DGAT1 O75907 1/20 0.35
SGK1 O00141 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3497043 0.88 MAPT (0.52) MAPTKMT2AAPPAKR1C3AKR1C2
SCHEMBL4664901 0.81 SRD5A2 (0.54) MAPTKMT2AAPPSRD5A2HIF1A
SCHEMBL127736 0.81 HRH3 (0.43) MAPTKMT2AAPPAKR1C3AKR1C2
SCHEMBL1819260 0.79 ESR1 (0.54) MAPTKMT2AAPPAKR1C3AKR1C2
SCHEMBL1107163 0.79 TSHR (0.50) MAPTKMT2AAPPAKR1C3AKR1C2
Ethylene SCHEMBL28867982 0.79 MAPT (0.61) MAPTKMT2ACYP2C9CYP2D6HIF1A
SCHEMBL6571 0.78 MAPT (0.67) MAPTKMT2ACYP2C9CYP2D6HIF1A
SCHEMBL897098 0.77 KMT2A (0.43) MAPTKMT2AAPPAKR1C3AKR1C2
SCHEMBL697244 0.77 MAP4K4 (0.55) MAPTKMT2AAKR1C3AKR1C2MAP4K4
SCHEMBL9130779 0.77 SRD5A2 (0.61) KMT2ASRD5A2SMN1; SMN2ALDH1A1

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 MAPT 4877/4885KMT2A 3400/4885APP 4175/4885

“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.