SCHEMBL9398153

SCHEMBL9398153

C/C=C/C=C/C(=O)OC(O)CCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9398163 1.00 ACHE (0.34) ACHEBACE1LMNAMAPK1HTT
SCHEMBL4613185 0.87 HCAR2 (0.32) ACHEBACE1
SCHEMBL4613181 0.87 HCAR2 (0.32) ACHEBACE1
SCHEMBL28177719 0.87 SMPD1 (0.40) ACHEBACE1PPARD
SCHEMBL19471986 0.86 ACHE (0.49) ACHEBACE1PPARAALDH1A1
SCHEMBL28954263 0.86 LMNA (0.33) LMNAMAPK1HTTCNR2CNR1
SCHEMBL9160338 0.85 TSHR (0.34) LMNAMAPK1HTTCNR2CNR1
SCHEMBL9160314 0.85 TSHR (0.34) LMNAMAPK1HTTCNR2CNR1
SCHEMBL8676086 0.85 HCAR2 (0.40) ACHEBACE1
SCHEMBL8676089 0.85 HCAR2 (0.40) ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4005258-A None JP disclosed
US-20170305831-A1 PREPARATION OF A SORBATE ESTER DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-26 US disclosed
EP-3209635-A1 PREPARATION OF SORBATE ESTER Dow Global Technologies LLC (US) 2017-08-30 EP disclosed
CN-107074731-A Preparation of sorbic acid esters 陶氏环球技术有限责任公司 2017-08-18 CN disclosed
CN-104162446-A Preparation method of catalyst for preparation of acetaldehyde through hydrogenation of acetic acid UNIV EAST CHINA SCIENCE & TECH 2014-11-26 CN disclosed
EP-0387654-B1 Methods of producing alkylene glycol monosorbates CHISSO CORP (JP) 1994-10-12 EP disclosed
EP-0559239-A1 Methods of producing and preserving alkylene glycol monosorbates CHISSO CORPORATION (JP) 1993-09-08 EP disclosed
JP-H045258-A STABILIZATION OF ALKYLENE GLYCOL MONOSORBATE CHISSO CORP 1992-01-09 JP disclosed
US-5017720-A Methods of producing and reserving alkylene glycol monosorbates CHISSO CORPORATION (JP) 1991-05-21 US disclosed
EP-0387654-A2 Methods of producing alkylene glycol monosorbates CHISSO CORPORATION (JP) 1990-09-19 EP 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-20170305831-A1 PREPARATION OF A SORBATE ESTER HAO2, SORBS1, HAO1 ACHE 1124/4885BACE1 3202/4885LMNA 2010/4885

“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.