SCHEMBL4811129

SCHEMBL4811129

COC(=O)C(COC(C)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
GLS O94925 1/20 0.49
ALDH1A1 P00352 3/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL4811124 1.00 KMT2A (0.55) KMT2AGLSALDH1A1PTGS1PTGS2
SCHEMBL27935006 0.86 ALDH1A1 (0.48) KMT2AGLSALDH1A1CYP3A4PKM
SCHEMBL8460020 0.86 CYP2C19 (0.49) KMT2AGLSALDH1A1CYP3A4PKM
SCHEMBL819828 0.86 KMT2A (0.58) KMT2AGLSALDH1A1PTGS1PTGS2
SCHEMBL8208998 0.83 KMT2A (0.51) KMT2AALDH1A1PTGS1PTGS2ESR1
SCHEMBL28062414 0.83 EPHX1 (0.54) KMT2AGLSALDH1A1CYP3A4PKM
SCHEMBL22418886 0.83 GLS (0.46) KMT2AGLSALDH1A1MEN1CYP3A4
Hydrochloric Acid SCHEMBL8484874 0.81 KMT2A (0.53) KMT2AGLSALDH1A1ESR1ESR2
SCHEMBL820937 0.81 KMT2A (0.53) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL13175572 0.81 KMT2A (0.56) KMT2AGLSALDH1A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 KMT2A 1853/4885GLS 3947/4885ALDH1A1 129/4885

“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.