SCHEMBL12588564

SCHEMBL12588564

CN1C(C)(C)CC(OCCC(=O)OCCC(=O)O)CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
APEX1 P27695 1/20 0.30

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
SCHEMBL11359651 0.91 APEX1 (0.34) MEN1GAAKMT2AAPEX1
SCHEMBL14463136 0.75 ITGB3 (0.35) KMT2A
SCHEMBL22210667 0.75 TSHR (0.31) KMT2A
Acetic Acid SCHEMBL988128 0.74 TSHR (0.35) MEN1GAAKMT2A
SCHEMBL222589 0.74 SMN1; SMN2 (0.36) MEN1GAAKMT2AAPEX1
SCHEMBL11152233 0.74 NPC1 (0.30)
SCHEMBL8333537 0.74 POLB (0.39) GAA
SCHEMBL24505294 0.72 CYP2D6 (0.34) MEN1GAAKMT2A
SCHEMBL27261571 0.72 SMN1; SMN2 (0.43) MEN1GAAKMT2A
SCHEMBL13108966 0.71 NAAA (0.41) MEN1GAAKMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122643-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES ARKEMA INC. (US) 2016-05-05 US disclosed
US-20130178652-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES ARKEMA INC. (US) 2013-07-11 US disclosed
US-20110160484-A1 Method of Inhibiting Polymerization and Fouling in Acrylic Acid and Acrylate Processes ARKEMA INC. 2011-06-30 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 (2 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-20130178652-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES AOC2, HAO2, AOC3 MEN1 1199/4885GAA 958/4885KMT2A 1416/4885
US-20110160484-A1 Method of Inhibiting Polymerization and Fouling in Acrylic Acid and Acrylate Processes HAO2, AOC2, HACL2 MEN1 1850/4885GAA 692/4885KMT2A 1497/4885

“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.