SCHEMBL11973229

SCHEMBL11973229

CCC=C(C)CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL2010733 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL3319264 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL2005922 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL2010736 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL7184393 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL3319261 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL2005924 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL11973227 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL2004919 0.97 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL2004922 0.97 CES2 (0.42) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417359-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2024-12-19 US disclosed
CN-113966350-A Modified vinyl aromatic copolymer and method for producing same, modified conjugated diene copolymer obtained therefrom, composition of modified conjugated diene copolymer, crosslinked rubber, and tire member 日铁化学材料株式会社 2022-01-21 CN disclosed
EP-2678410-B1 COMPOSIITONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES PROCTER & GAMBLE (US) 2017-09-13 EP disclosed
US-9193937-B2 Mixtures of C10-C13 alkylphenyl sulfonates THE PROCTER & GAMBLE COMPANY (US) 2015-11-24 US disclosed
WO-2012138423-A1 COMPOSITIONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2012-10-11 WO disclosed
US-20120214724-A1 Mixtures OF C10-C13 Alkylphenyl Sulfonates THE PROCTER & GAMBLE COMPANY 2012-08-23 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-20240417359-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS HAAO, FOS, HPD CES2 697/4885CES1 1903/4885GPR84 1890/4885
US-20120214724-A1 Mixtures OF C10-C13 Alkylphenyl Sulfonates SMURF1, C1S, SMURF2 CES2 715/4885CES1 1392/4885GPR84 2144/4885

“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.