SCHEMBL3109428

SCHEMBL3109428

C=C(C(=O)OCc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
FFAR1 O14842 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MRGPRX4 Q96LA9 3/20 0.36
GPR132 Q9UNW8 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3103497 0.95 RORC (0.45) RORCFFAR1ADRB1ADRB3MEN1
SCHEMBL3109164 0.92 CNR1 (0.40) RORCFFAR1MEN1KMT2ACNR1
SCHEMBL3109418 0.87 SMN1; SMN2 (0.41) RORCFFAR1MEN1KMT2ACNR1
SCHEMBL13817512 0.85 FFAR1 (0.39) FFAR1MEN1KMT2AMRGPRX4RAB9A
SCHEMBL13817517 0.84 FFAR1 (0.41) FFAR1MEN1KMT2AMRGPRX4RAB9A
SCHEMBL3101778 0.82 FAAH (0.49) FFAR1MRGPRX4GPR132RAB9AFAAH
SCHEMBL3106146 0.81 FFAR1 (0.46) FFAR1MEN1KMT2A
SCHEMBL3104042 0.81 KDM5A (0.44) FFAR1GPR132
SCHEMBL4498270 0.79 FFAR1 (0.41) FFAR1MEN1KMT2AMRGPRX4RAB9A
SCHEMBL4486868 0.78 FFAR1 (0.42) FFAR1MEN1KMT2AMRGPRX4RAB9A

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-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
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 RORC 1680/4885FFAR1 421/4885ADRB1 586/4885

“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.