SCHEMBL13249102

SCHEMBL13249102

c1ccc2cc3c(ccc4c(-n5c(-c6ccc(-c7c8ccccc8cc8c7ccc7c(-c9c%10ccccc%10cc%10c9ccc9c(-c%11cccc%12c%11ccc%11c(-c%13cccc%14c%13ccc%13c(-c%15ccc(-c%16nc%17ccccc%17n%16-c%16cccc%17c%16ccc%16cc%18ccccc%18cc%16%17)cc%15)c%15ccccc%15cc%13%14)c%13ccccc%13cc%11%12)cccc9%10)cccc78)cc6)nc6ccccc65)cccc43)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.42
PTGS2 P35354 1/20 0.35
SOS1 Q07889 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
MAPK10 P53779 3/20 0.33
FLT3 P36888 2/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8780792 0.89 GSR (0.46) GSRPTGS2ESR1ESR2MAPK10
SCHEMBL9612379 0.87 ESR1 (0.44) PTGS2ESR1ESR2MAPK10GRIA1
SCHEMBL13249114 0.86 ESR1 (0.49) PTGS2ESR1ESR2MAPK10GRIA1
SCHEMBL13249099 0.85 ESR1 (0.45) PTGS2SOS1ESR1ESR2GRIA1
SCHEMBL13249119 0.85 GSR (0.44) GSRESR1ESR2MAPK10RAB9A
SCHEMBL9612409 0.83 ESR1 (0.48) PTGS2SOS1ESR1ESR2GRIA1
SCHEMBL26344620 0.83 GSR (0.47) GSRPTGS2ESR1ESR2FLT3
SCHEMBL13249120 0.82 ESR1 (0.46) PTGS2ESR1ESR2MAPK10GRIA1
SCHEMBL13249113 0.82 ESR1 (0.41) GSRSOS1ESR1ESR2MAPK10
SCHEMBL12571643 0.82 GSR (0.43) GSRPTGS2ESR1ESR2FLT3

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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 GSR 1566/4885PTGS2 1482/4885SOS1 3965/4885

“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.