SCHEMBL4301698

SCHEMBL4301698

CCCC(C)c1cccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTT P42858 2/20 0.40
RPS6KB1 P23443 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 4/20 0.39
LMNA P02545 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL530130 0.89 TSHR (0.45) BCAT2KEAP1NFE2L2HTTPARP1
SCHEMBL1003281 0.84 HTT (0.46) BCAT2KEAP1NFE2L2HTTRPS6KB1
SCHEMBL4410159 0.82 BCAT2 (0.49) BCAT2KEAP1NFE2L2PARP1LMNA
Acetic Acid SCHEMBL8910191 0.80 BCAT2 (0.46) BCAT2KEAP1NFE2L2PARP1LMNA
SCHEMBL30410265 0.78 PLA2G2A (0.40) HTTRPS6KB1PARP1IRAK4MEN1
SCHEMBL4560229 0.78 BCAT2 (0.45) BCAT2KEAP1NFE2L2RPS6KB1PARP1
SCHEMBL4301679 0.78 BCAT2 (0.57) BCAT2KEAP1NFE2L2HTTRPS6KB1
SCHEMBL6859419 0.76 KMT2A (0.47) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL27214460 0.75 BCAT2 (0.63) BCAT2KEAP1NFE2L2PARP1CYP3A4
SCHEMBL30491562 0.74 MEN1 (0.42) RPS6KB1PARP1LMNAPARP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
US-20140371066-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 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 (2 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-20140371066-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CAT BCAT2 922/4885KEAP1 2746/4885NFE2L2 2848/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 BCAT2 760/4885KEAP1 1659/4885NFE2L2 2591/4885

“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.