SCHEMBL8780792

SCHEMBL8780792

c1ccc2cc3c(ccc4c(-n5c(-c6ccc(-c7cccc8cc9c(ccc%10c(-c%11cccc%12cc%13c(ccc%14c(-c%15cccc%16c%15ccc%15cc%17c(-c%18cccc%19c%18ccc%18cc%20c(-c%21ccc(-c%22nc%23ccccc%23n%22-c%22cccc%23c%22ccc%22cc%24ccccc%24cc%22%23)cc%21)cccc%20cc%18%19)cccc%17cc%15%16)cccc%14%13)cc%11%12)cccc%109)cc78)cc6)nc6ccccc65)cccc43)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.46
RAB9A P51151 1/20 0.39
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MAPK10 P53779 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
FLT3 P36888 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BMX P51813 1/20 0.33

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
SCHEMBL13249119 0.90 GSR (0.44) GSRRAB9AMAPK10ESR1ESR2
SCHEMBL13249102 0.89 GSR (0.42) GSRRAB9APTGS2TDP1MAPK10
SCHEMBL8780813 0.86 ESR1 (0.48) RAB9APTGS2ESR1ESR2GRIA1
SCHEMBL134063 0.86 ESR1 (0.48) RAB9APTGS2MAPK10ESR1ESR2
SCHEMBL9976937 0.85 ESR1 (0.53) RAB9APTGS2MAPK10ESR1ESR2
SCHEMBL8780507 0.84 ESR1 (0.42) GSRRAB9ATDP1ESR1ESR2
SCHEMBL8780684 0.83 ESR1 (0.41) GSRRAB9ATDP1ESR1ESR2
SCHEMBL8780625 0.81 GSR (0.41) GSRPTGS2MAPK10ESR1ESR2
SCHEMBL1234985 0.81 ESR1 (0.49) RAB9APTGS2ESR1ESR2GRIA1
SCHEMBL8780510 0.80 ESR1 (0.54) RAB9APTGS2ESR1ESR2GRIA1

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-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 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-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 GSR 1714/4885RAB9A 1688/4885PTGS2 2061/4885

“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.