SCHEMBL3103497

SCHEMBL3103497

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.45
FFAR1 O14842 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
GPR132 Q9UNW8 2/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
FAAH O00519 1/20 0.37
THRA P10827 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3109428 0.95 RORC (0.41) RORCFFAR1MEN1KMT2AMRGPRX4
SCHEMBL3109418 0.91 SMN1; SMN2 (0.41) RORCFFAR1MEN1KMT2ATHRB
SCHEMBL3109164 0.86 CNR1 (0.40) RORCFFAR1MEN1KMT2ATHRB
SCHEMBL3101778 0.84 FAAH (0.49) FFAR1MRGPRX4GPR132RAB9AFAAH
SCHEMBL3106146 0.84 FFAR1 (0.46) FFAR1MEN1KMT2A
SCHEMBL3104042 0.84 KDM5A (0.44) FFAR1GPR132
SCHEMBL4498270 0.83 FFAR1 (0.41) FFAR1MEN1KMT2AMRGPRX4RAB9A
SCHEMBL4486868 0.83 FFAR1 (0.42) FFAR1MEN1KMT2AMRGPRX4RAB9A
SCHEMBL3103227 0.81 FAAH (0.47) RORCKMT2AGPR132ADRB1ADRB3
SCHEMBL3101528 0.80 CNR2 (0.43) FFAR1MEN1KMT2AALDH1A1LMNA

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 RORC 1680/4885FFAR1 421/4885MEN1 1718/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 RORC 834/4885FFAR1 304/4885MEN1 722/4885

“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.