SCHEMBL6700713

SCHEMBL6700713

CON=C(C(C)=O)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.38
CPS1 P31327 2/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL6700710 1.00 CES2 (0.50) CES2CES1KDM4EMAPTMAOB
SCHEMBL19994724 0.83 CES2 (0.46) CES2CES1KDM4EMAPTMAOB
SCHEMBL7782666 0.83 CES2 (0.41) CES2CES1KDM4EMAPTMAOB
SCHEMBL6600961 0.83 CES2 (0.41) CES2CES1KDM4EMAPTMAOB
SCHEMBL6701838 0.83 CES2 (0.41) CES2CES1KDM4EMAPTMAOB
SCHEMBL6701474 0.81 CES2 (0.55) CES2CES1KDM4EMAPTMAOB
SCHEMBL6701469 0.81 CES2 (0.55) CES2CES1KDM4EMAPTMAOB
SCHEMBL6701884 0.81 CES2 (0.55) CES2CES1KDM4EMAPTMAOB
SCHEMBL6814924 0.80 CES2 (0.47) CES2CES1KDM4EMAPT
SCHEMBL6814922 0.80 CES2 (0.47) CES2CES1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077895-A1 Process for the preparation of strobilurin intermediates WADITSCHATKA RUDOLF (CH) 2004-04-22 US disclosed
US-6664422-B1 Process for the preparation of strobilurin intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-12-16 US disclosed
EP-1137627-A1 PROCESS FOR THE PREPARATION OF STROBILURIN INTERMEDIATES Bayer Aktiengesellschaft (DE) 2001-10-04 EP disclosed
WO-2000034229-A1 PROCESS FOR THE PREPARATION OF STROBILURIN INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2000-06-15 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-20040077895-A1 Process for the preparation of strobilurin intermediates TET1, CYP1B1, STS CES2 1780/4885CES1 1221/4885KDM4E 92/4885

“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.