SCHEMBL16202071

SCHEMBL16202071

CCO/N=C(\CC)c1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.37
RXRA P19793 2/20 0.36
RXRG P48443 2/20 0.36
RXRB P28702 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL16202070 0.84 GSK3B (0.46) PPARGPPARAGAAKMT2AMEN1
SCHEMBL17233213 0.84 MAPT (0.49) PPARGPPARAGAAKMT2AMEN1
SCHEMBL7942914 0.83 GAA (0.41) PPARGPPARAGAAKMT2AMEN1
SCHEMBL7942915 0.83 GAA (0.41) PPARGPPARAGAAKMT2AMEN1
SCHEMBL16202057 0.81 PPARG (0.51) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL17233347 0.80 ESR1 (0.47) GAAKMT2AMEN1L3MBTL1LMNA
SCHEMBL13035863 0.78 GAA (0.56) GAAKMT2AMEN1PRSS1PRSS2
SCHEMBL18598370 0.78 ATM (0.61) PPARAGAAKMT2AL3MBTL1LMNA
SCHEMBL27369627 0.78 ATM (0.61) PPARAGAAKMT2AL3MBTL1LMNA
SCHEMBL16202069 0.78 CCR5 (0.41) KMT2AMEN1L3MBTL1

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 PPARG 4783/4885PPARA 4737/4885GAA 244/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 PPARG 4807/4885PPARA 4680/4885GAA 192/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 PPARG 4807/4885PPARA 4680/4885GAA 192/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PPARG 4391/4885PPARA 4457/4885GAA 633/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PPARG 4391/4885PPARA 4457/4885GAA 633/4885

“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.