SCHEMBL4301700

SCHEMBL4301700

CCCCc1c(C)ccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.39
BCAT2 O15382 1/20 0.39
DPP4 P27487 2/20 0.39
DCTPP1 Q9H773 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 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
SCHEMBL530131 0.93 BRD4 (0.40) GCGRMEN1KMT2ANR1I2LMNA
SCHEMBL4410163 0.87 BCAT2 (0.42) GCGRMEN1KMT2ALMNAMAPT
SCHEMBL27827647 0.83 GCGR (0.49) GCGRDCTPP1
SCHEMBL9943811 0.82 GABRP (0.46) GCGRMEN1KMT2ADPP4DCTPP1
SCHEMBL4065289 0.79 BCAT2 (0.43) GCGRMEN1KMT2ALMNAMAPT
SCHEMBL4598744 0.79 GABRP (0.43) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL27547212 0.78 LMNA (0.44) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9051709 0.78 GCGR (0.44) GCGRMEN1KMT2ANR1I2LMNA
SCHEMBL982417 0.77 GCGR (0.48) GCGRDCTPP1KDM4ECNR2
SCHEMBL5480865 0.77 KMT2A (0.44) MEN1KMT2ANR1I2LMNACHRM2

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 GCGR 2298/4885MEN1 2328/4885KMT2A 1736/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 GCGR 2033/4885MEN1 1718/4885KMT2A 1555/4885

“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.