SCHEMBL16202032

SCHEMBL16202032

C/C=C/CO/N=C(\C)c1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.49
PPARG P37231 8/20 0.49
MAPT P10636 4/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL16202065 0.87 PPARG (0.45) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL16202028 0.87 PPARG (0.45) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL16202013 0.83 SMN1; SMN2 (0.48) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL16202021 0.81 PPARG (0.32) PPARAPPARGSMN1; SMN2LMNAPTBP1
SCHEMBL16202057 0.79 PPARG (0.51) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL8782159 0.78 LMNA (0.34) PPARAPPARGSMN1; SMN2LMNAPTBP1
SCHEMBL16202063 0.74 PPARG (0.47) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL16202056 0.73 MAPT (0.50) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL10101735 0.73 S1PR1 (0.50) PPARAPPARGMAPTNPY1RNPY2R
SCHEMBL16202019 0.73 PPARG (0.46) PPARAPPARGMAPTNPY1RNPY2R

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
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 PPARA 4737/4885PPARG 4783/4885MAPT 1798/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 PPARA 4680/4885PPARG 4807/4885MAPT 1392/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 PPARA 4680/4885PPARG 4807/4885MAPT 1392/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PPARA 4457/4885PPARG 4391/4885MAPT 2644/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PPARA 4457/4885PPARG 4391/4885MAPT 2644/4885

“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.