SCHEMBL4754376

SCHEMBL4754376

CC=CC=CC(=O)OC(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
CNR2 P34972 4/20 0.37
CNR1 P21554 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL4754373 1.00 HCAR2 (0.40) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL27771867 0.98 HCAR2 (0.39) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL27771869 0.98 HCAR2 (0.39) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL1173409 0.86 HCAR2 (0.56) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL1173410 0.86 HCAR2 (0.56) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL4866839 0.86
SCHEMBL4866847 0.86
SCHEMBL9573297 0.85 HCAR2 (0.36) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL9573292 0.85 HCAR2 (0.36) HCAR2CNR2CNR1PPARGPPARD
SCHEMBL2911353 0.83 HCAR2 (0.54) HCAR2CA12AKR1B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008150609-A1 ENERGY CURING BREATHABLE COATINGS SUN CHEMICAL CORPORATION (US) 2008-12-11 WO claimed
US-20080305349-A1 Energy-curing breathable coatings (combined) SUN CHEMICAL CORPORATION 2008-12-11 US claimed
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
WO-2008150609-A1 ENERGY CURING BREATHABLE COATINGS SUN CHEMICAL CORPORATION (US) 2008-12-11 WO disclosed
US-20080305349-A1 Energy-curing breathable coatings (combined) SUN CHEMICAL CORPORATION 2008-12-11 US 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 HCAR2 227/4885CNR2 3815/4885CNR1 3509/4885

“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.