SCHEMBL3247151

SCHEMBL3247151

CC1=C(C(=O)Nc2ccccc2C(C)CC(C)C)CCO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ANPEP P15144 1/20 0.35
LMNA P02545 3/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NLRP3 Q96P20 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CAPN1 P07384 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3774642 0.81 MAPK1 (0.58) NPC1RAB9APOLBMAPK1
SCHEMBL14380229 0.79 MAPT (0.36) PKMMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL14423074 0.75 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2ANPEPLMNANPC1
SCHEMBL1987585 0.73 TSHR (0.49) PKMSMN1; SMN2ANPEPLMNARAB9A
SCHEMBL8440042 0.73 RAB9A (0.32) PKMMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL12263896 0.72 ATM (0.40) PKMMAPTL3MBTL1SMN1; SMN2ANPEP
SCHEMBL7019511 0.72 HSD17B10 (0.58) PKMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14523918 0.72 LMNA (0.45) PKMMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL14364836 0.72 TDP1 (0.49) PKMMAPTSMN1; SMN2LMNANPC1
SCHEMBL273890 0.72 TDP1 (0.49) PKMMAPTSMN1; SMN2LMNANPC1

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
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 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-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms MCRS1, MRM1, PADI1 PKM 1117/4885MAPT 3644/4885L3MBTL1 292/4885

“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.