SCHEMBL8675151

SCHEMBL8675151

CCCCCCC[C](C)CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
TSHR P16473 5/20 0.53
THRB P10828 1/20 0.53
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL4036124 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL2186772 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL9487785 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL14798823 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL5134029 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL16712189 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL11172049 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL247451 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1192143 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL8330537 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100329-B2 Plants having increased tolerance to herbicides BASF Agro B.V. (NL) 2018-10-16 US disclosed
CN-102940224-B Cinnamic acid acid amides is as delicious flavor substance SYMRISE AG (DE) 2016-05-04 CN disclosed
US-20150335016-A1 Herbicidal Composition Comprising a Cornexistin BASF SE (DE) 2015-11-26 US disclosed
US-20150305336-A1 Soluble liquid formulations of quinclorac ammonium salts BASF SE (DE) 2015-10-29 US disclosed
US-20150299725-A1 Plants Having Increased Tolerance to Herbicides BASF Agro B.V. (NL) 2015-10-22 US disclosed
CN-102940224-A Cinnamamides as savory flavorings SYMRISE AG 2013-02-27 CN disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 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 (3 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-20150335016-A1 Herbicidal Composition Comprising a Cornexistin DDT, CYP4X1, ACHE CES2 4/4885CES1 25/4885TSHR 2222/4885
US-20150299725-A1 Plants Having Increased Tolerance to Herbicides PPOX, PNPO, PAOX CES2 777/4885CES1 699/4885TSHR 2719/4885
US-20150305336-A1 Soluble liquid formulations of quinclorac ammonium salts GLUL, ASNS, GLS CES2 388/4885CES1 246/4885TSHR 3882/4885

“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.