SCHEMBL3103227

SCHEMBL3103227

C=C(C(=O)OCc1cccc(Oc2ccc(Cl)cn2)c1)C(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
GPR132 Q9UNW8 3/20 0.41
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
GRM5 P41594 2/20 0.38
RORC P51449 1/20 0.37
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37
PPARG P37231 1/20 0.37
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL3105922 0.90 HTT (0.41) FAAHMAPTKMT2AADRB1ADRB3
SCHEMBL3101778 0.88 FAAH (0.49) FAAHGPR132
SCHEMBL4499433 0.85 FAAH (0.40) FAAHMAPTKMT2AGRM8GRM7
SCHEMBL4486483 0.84 FAAH (0.40) FAAHMAPTKMT2AGRM8GRM7
SCHEMBL3103882 0.81 GRM5 (0.41) FAAHGPR132ADRB1ADRB3GRM5
SCHEMBL3103497 0.81 RORC (0.45) FAAHMAPTKMT2AGPR132ADRB1
SCHEMBL3114820 0.80 HTT (0.44) MAPTKMT2AGPR132PPARG
SCHEMBL3104042 0.79 KDM5A (0.44) GPR132SGMS2
SCHEMBL3109428 0.78 RORC (0.41) FAAHMAPTKMT2AGPR132ADRB1
SCHEMBL3109204 0.78 MEN1 (0.49) MAPTKMT2A

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
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 FAAH 1152/4885MAPT 4862/4885KMT2A 3860/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 FAAH 300/4885MAPT 3631/4885KMT2A 1238/4885

“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.