SCHEMBL9978726

SCHEMBL9978726

CCOC(=O)C(Cc1ccc(Cl)cc1Cl)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 1/20 0.61
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
ADCY8 P40145 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.43
HDAC8 Q9BY41 4/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL11450832 0.94 CYP3A4 (0.58) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL1682185 0.93 CYP3A4 (0.60) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL15261862 0.90 CYP3A4 (0.55) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL13003217 0.84 ALDH1A1 (0.46) CYP3A4CYP2C9GAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27578134 0.84 CYP3A4 (0.57) CYP3A4CYP2C9HDAC8HDAC3HDAC1
Hydrochloric Acid SCHEMBL27558225 0.84 CYP3A4 (0.57) CYP3A4CYP2C9HDAC8HDAC3HDAC1
SCHEMBL11857227 0.82 CYP3A4 (0.66) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL11854037 0.82 CYP3A4 (0.66) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL14401197 0.82 ALDH1A1 (0.44) CYP3A4CYP2C9SMN1; SMN2LMNAALDH1A1
SCHEMBL12713132 0.82 ALDH1A1 (0.44) CYP3A4CYP2C9GAASMN1; SMN2LMNA

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 9 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
US-4237158-A FOR PLANT DISEASES; PLANT GROWTH REGULATORS ROHM AND HAAS COMPANY (US) 1980-12-02 US disclosed
US-4118461-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-03 US disclosed
US-4115578-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed
US-4105762-A Metal salt complexes of 1-substituted aralkyl imidazoles, and methods and compositions for controlling phytopathogenic fungi using them ROHM AND HAAS COMPANY (US) 1978-08-08 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 (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.