SCHEMBL4944942

SCHEMBL4944942

NNC(CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
EEF2K O00418 3/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
AOC3 Q16853 3/20 0.47
CTSD P07339 1/20 0.47
BCAT2 O15382 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL14136334 0.83 TSHR (0.52) CYP2C19ATML3MBTL1ALDH1A1
SCHEMBL23797842 0.83 KYNU (0.51) GABBR2GABBR1EEF2KALDH1A1ITGB3
SCHEMBL8332653 0.82 EEF2K (0.50) GABBR2GABBR1EEF2KCYP2C19ATM
SCHEMBL4943739 0.81 NAALAD2 (0.46) GABBR2GABBR1CYP2C19ALDH1A1AOC3
SCHEMBL12832254 0.81 GABBR2 (0.55) GABBR2GABBR1EEF2KCYP2C19BCAT2
SCHEMBL12832401 0.81 GABBR2 (0.55) GABBR2GABBR1EEF2KCYP2C19BCAT2
SCHEMBL2300538 0.80 ALDH1A1 (0.59) GABBR2GABBR1EEF2KCYP2C19ATM
SCHEMBL1144429 0.80 ALDH1A1 (0.59) GABBR2GABBR1EEF2KCYP2C19ATM
SCHEMBL167045 0.80 ALDH1A1 (0.59) GABBR2GABBR1EEF2KCYP2C19ATM
SCHEMBL9298256 0.78 EEF2K (0.48) GABBR2GABBR1EEF2KCYP2C19ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956878-A Perovskite layer manufacturing method, perovskite battery, battery assembly and photovoltaic system 浙江爱旭太阳能科技有限公司 2024-04-30 CN claimed
CN-117956878-A Perovskite layer manufacturing method, perovskite battery, battery assembly and photovoltaic system 浙江爱旭太阳能科技有限公司 2024-04-30 CN disclosed
CN-108558697-A A kind of synthetic method of new derivatives of beta-amino acids 宁德师范学院 2018-09-21 CN disclosed
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO 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-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A GABBR2 2692/4885GABBR1 2568/4885EEF2K 3257/4885

“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.