SCHEMBL24353075

SCHEMBL24353075

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.66
ESR2 Q92731 2/20 0.66
GRIA1 P42261 1/20 0.56
CACNG8 Q8WXS5 1/20 0.56
CACNG2 Q9Y698 1/20 0.56
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.50
RECQL P46063 1/20 0.50
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
GSK3B P49841 1/20 0.49
ROCK1 Q13464 1/20 0.49
AVPR1A P37288 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL20776045 1.00 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19369610 1.00 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776058 1.00 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776005 0.98 ESR1 (0.68) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18079838 0.98 ESR1 (0.68) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776042 0.97 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776046 0.97 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776107 0.97 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24953137 0.97 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776065 0.97 ESR2 (0.70) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11316114-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same Rohm and Haas Erlectronic Materials Korea Ltd. 2022-04-26 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-11316114-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same EML4, ELAVL1, ELAVL3 ESR1 59/4885ESR2 148/4885GRIA1 3280/4885

“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.