SCHEMBL9978729

SCHEMBL9978729

CCC(C)OC(=O)C(Cc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 1/20 0.45
HDAC8 Q9BY41 4/20 0.43
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PPARA Q07869 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2673397 0.84 MAPT (0.46) GAAKMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL11268815 0.84 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1MAPTPPARA
SCHEMBL11450832 0.83 CYP3A4 (0.58) CYP3A4CYP2C9GAAHDAC8EPHX1
SCHEMBL2672622 0.81 PPARG (0.47) CYP2C9CYP2C19MAPTPPARA
SCHEMBL11458388 0.80 IDO1 (0.49) CYP3A4CYP2C9HDAC8EPHX1NR4A2
SCHEMBL2672604 0.79 PNMT (0.48) MAPTPPARA
SCHEMBL2685750 0.78 IDO1 (0.47) CYP3A4CYP2C9GAAHDAC8EPHX1
SCHEMBL2685745 0.78 IDO1 (0.47) CYP3A4CYP2C9GAAHDAC8EPHX1
SCHEMBL9978726 0.77 CYP3A4 (0.61) CYP3A4CYP2C9GAAHDAC8EPHX1
SCHEMBL28322156 0.77 HDAC8 (0.47) CYP3A4CYP2C9GAAHDAC8EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576515-B1 Pyrazolecarboxamide derivatives and their use as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-04-16 EP disclosed
US-8552049-B2 Pyrazolecarboxamide derivatives and their use as microbiocides Syngenta Corp Protection, LLC (US) 2013-10-08 US disclosed
EP-2576515-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES Syngenta Participations AG (CH) 2013-04-10 EP disclosed
US-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-21 US disclosed
WO-2011147690-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-01 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-20130072535-A1 PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES HRH4, MRGPRX4, C3AR1 CYP3A4 361/4885CYP2C9 743/4885GAA 4574/4885

“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.