SCHEMBL13304643

SCHEMBL13304643

Cc1occc1C(=O)Nc1ccc(F)cc1C(C)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 1/20 0.50
ESR2 Q92731 1/20 0.50
POLB P06746 4/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 3/20 0.44
GAA P10253 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13304839 0.80 CCR8 (0.41) ALDH1A1SMN1; SMN2TP53GAAMAPT
SCHEMBL15132716 0.78 ATM (0.49) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL13292673 0.77 ALDH1A1 (0.37) ALDH1A1POLBLMNAMAPT
SCHEMBL10238303 0.76 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL13304627 0.75 HPGD (0.46) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL4107508 0.75 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ALMNAHSD17B10
SCHEMBL13304875 0.75 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL13304624 0.75 SMN1; SMN2 (0.48) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL14461581 0.73 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AMAPK1POLB
SCHEMBL13304565 0.73 RAB9A (0.51) NPC1RAB9AMAPK1POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 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-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms MCRS1, MRM1, PADI1 ALDH1A1 313/4885NPC1 4252/4885RAB9A 1873/4885

“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.