SCHEMBL127748

SCHEMBL127748

[CH2]CCC(C)(C)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.58
CYP4A11 Q02928 3/20 0.58
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL29283450 0.88 CYP4F2 (0.65) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL2021436 0.86 CYP4F2 (0.67) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL1723361 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL128565 0.83 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL5306680 0.82 CYP4F2 (0.62) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL129290 0.82 CYP4F2 (0.52) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL127972 0.80 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1LMNAATM
SCHEMBL8160235 0.80 CYP4F2 (0.60) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL6254544 0.80 CYP4F2 (0.85) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL11329351 0.80 MEN1 (0.57) CYP4F2CYP4A11MEN1KMT2APKM

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
CN-118119386-A Functionalized carboxylic acids and their use for treating diseases 埃斯佩尔维塔治疗股份有限公司 2024-05-31 CN disclosed
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 CYP4F2 105/4885CYP4A11 82/4885MEN1 3295/4885

“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.