SCHEMBL129290

SCHEMBL129290

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.42
PKM P14618 3/20 0.40
MMP8 P22894 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL127748 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL129864 0.82 HCAR2 (0.36) CYP4F2CYP4A11ALOX15ALDH1A1LMNA
SCHEMBL2021436 0.80 CYP4F2 (0.67) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL18363110 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL130722 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL29283450 0.79 CYP4F2 (0.65) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL128260 0.79 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNATSHR
SCHEMBL1164946 0.78 CYP4F2 (0.59) CYP4F2CYP4A11ALOX15ALDH1A1PKM
Ammonia Solution, Strong SCHEMBL27912168 0.78 CYP4F2 (0.53) CYP4F2CYP4A11ALOX15ALDH1A1PKM
SCHEMBL4688132 0.78 ALDH1A1 (0.43) CYP4F2CYP4A11ALOX15ALDH1A1PKM

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 9 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
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 CN 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
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN 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 82/4885ALOX15 81/4885

“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.