SCHEMBL1574572

SCHEMBL1574572

COC(=O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.53
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
KMT2A Q03164 1/20 0.52
FFAR1 O14842 5/20 0.50
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
LMNA P02545 2/20 0.45
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CFTR P13569 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 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
SCHEMBL8381442 0.92 MRGPRX4 (0.53) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11212778 0.87 TDP1 (0.57) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11238106 0.85 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL29448825 0.85 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11854430 0.85 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL9506753 0.85 FFAR1 (0.55) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL25336183 0.85 CFTR (0.54) MRGPRX4MEN1KMT2APPARGPPARD
SCHEMBL9828392 0.83 FFAR1 (0.48) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL10662019 0.83 TDP1 (0.56) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL10661113 0.83 TDP1 (0.56) MRGPRX4TDP1MEN1TTRPPOX

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
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP claimed
EP-2485587-A2 PESTICIDAL COMPOSITION FOR COATING SEED WITH A HERBICIDE Syngenta Participations AG (CH) 2012-08-15 EP disclosed
US-20120196748-A1 PESTICIDAL COMPOSITION SYNGENTA LIMITED (GB) 2012-08-02 US disclosed
WO-2011042506-A2 PESTICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2011-04-14 WO disclosed
EP-2308297-A1 Pesticidal composition for coating seed with a herbicide Syngenta Participations AG (CH) 2011-04-13 EP disclosed
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP 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-20120196748-A1 PESTICIDAL COMPOSITION DDT, PFAS, ACHE MRGPRX4 3760/4885TDP1 1780/4885MEN1 4172/4885

“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.