SCHEMBL998511

SCHEMBL998511

O=C(O)C1C(=O)C=Cc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CYP1A2 P05177 2/20 0.33
HDAC4 P56524 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
PLA2G1B P04054 1/20 0.31
GAPDH P04406 1/20 0.31
POLB P06746 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL31379445 0.75 CYP2D6 (0.44) EDNRBEDNRAHDAC4MAPK1KDM4E
SCHEMBL129881 0.75 CYP2D6 (0.44) EDNRBEDNRAHDAC4MAPK1KDM4E
SCHEMBL11258960 0.71 CYP1A2 (0.33) EDNRBEDNRAHSP90AA1TLR9CYP1A2
SCHEMBL2405018 0.70 MAPT (0.33) KDM4EMEN1KMT2ATDP1POLB
SCHEMBL1225882 0.69 MEN1 (0.31) MEN1KMT2AALOX15
SCHEMBL14124713 0.67 EDNRB (0.47) EDNRBEDNRAHSP90AA1TLR9CYP1A2
SCHEMBL28965594 0.65 MEN1 (0.49) EDNRBEDNRAHDAC4MEN1KMT2A
SCHEMBL17396987 0.64 EDNRB (0.41) EDNRBEDNRAHDAC4KDM4EGLA
SCHEMBL28616443 0.63 EDNRB (0.33) EDNRBEDNRACYP1A2MAPK1CAMK2A
SCHEMBL1149700 0.63 EDNRB (0.40) EDNRBEDNRAHSP90AA1TLR9CYP1A2

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-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC EDNRB 4447/4885EDNRA 4066/4885HSP90AA1 3530/4885

“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.