SCHEMBL16202056

SCHEMBL16202056

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ALDH1A1 P00352 4/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 2/20 0.38
GFER P55789 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
SCHEMBL2051172 0.85 NPC1 (0.44) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL9222646 0.85 NPC1 (0.44) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL16683793 0.85 TSHR (0.39) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL17986221 0.85 TSHR (0.39) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL2051174 0.85 NPC1 (0.44) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL16202081 0.83 NPFFR2 (0.41) MAPTNPY1RNPY2RALDH1A1KMT2A
SCHEMBL18310629 0.80 MAPT (0.45) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL7941496 0.80 ALOX15 (0.36) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL7941499 0.80 ALOX15 (0.36) MAPTNPY1RNPY2RALDH1A1PPARG
SCHEMBL12750110 0.80 LMNA (0.48) MAPTSMN1; SMN2HTTGSK3BLMNA

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 MAPT 1798/4885NPY1R 3979/4885NPY2R 4649/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MAPT 1392/4885NPY1R 4449/4885NPY2R 4695/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MAPT 1392/4885NPY1R 4449/4885NPY2R 4695/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPT 2644/4885NPY1R 2957/4885NPY2R 4010/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MAPT 2644/4885NPY1R 2957/4885NPY2R 4010/4885

“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.