SCHEMBL1975474

SCHEMBL1975474

CCOC(=O)c1c(C)cc(=O)oc1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 5/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 2/20 0.56
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
APAF1 O14727 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL28444935 0.85 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL1974952 0.82 KDM4E (0.60) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28193649 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28193691 0.79 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28194136 0.79 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28452660 0.78 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL10726878 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL28459670 0.76 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28194128 0.76 TSHR (0.48) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL28193672 0.76 TSHR (0.48) ALDH1A1HPGDMAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619908-A Green synthesis process of 4, 6-dimethyl-2-oxo-2H-pyran-5-ethyl formate 无锡小荷智化科技有限公司 2024-09-10 CN claimed
CN-118772100-A Green technology for synthesizing 4-methyl-6-alkyl-2H-pyran-2-one 无锡小荷智化科技有限公司 2024-10-15 CN disclosed
CN-118702662-A Green technology for synthesizing 4-methyl-2H-pyran-2, 6 (3H) -dione 无锡小荷智化科技有限公司 2024-09-27 CN disclosed
CN-118619908-A Green synthesis process of 4, 6-dimethyl-2-oxo-2H-pyran-5-ethyl formate 无锡小荷智化科技有限公司 2024-09-10 CN disclosed
CN-113717062-A Compound, polymer, liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and production method 捷恩智株式会社 2021-11-30 CN disclosed
CN-105713553-A Silicone sealant for aluminum alloy doors/windows 烟台图文马克化工科技有限公司 2016-06-29 CN disclosed
CN-105713553-A Silicone sealant for aluminum alloy doors/windows 烟台图文马克化工科技有限公司 2016-06-29 CN disclosed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-4486588-A Cyclohexadiene carboxylate insecticide intermediates FMC CORPORATION (US) 1984-12-04 US disclosed
US-4375476-A MITICIDES FMC CORPORATION (US) 1983-03-01 US 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 ALDH1A1 2028/4885HPGD 487/4885MAPT 1976/4885

“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.