SCHEMBL21135001

SCHEMBL21135001

c1ccc(-c2ccc(-n3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nnc3-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.70
ESR1 P03372 2/20 0.70
GRIA1 P42261 1/20 0.59
CACNG8 Q8WXS5 1/20 0.59
CACNG2 Q9Y698 1/20 0.59
PTGS2 P35354 1/20 0.53
AVPR1A P37288 1/20 0.53
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
OXTR P30559 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
PRKACA P17612 1/20 0.46

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
SCHEMBL21135085 0.98 ESR2 (0.72) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL14160911 0.90 ESR1 (0.73) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL25769016 0.89 ESR2 (0.72) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL16692234 0.89 ESR2 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL10041513 0.89 ESR2 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL24953137 0.88 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL22507335 0.88 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL20776065 0.88 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL21135086 0.88 ESR2 (0.66) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL15172065 0.88 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-27 US disclosed
US-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 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-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, FOXM1 ESR2 527/4885ESR1 120/4885GRIA1 1955/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 ESR2 527/4885ESR1 120/4885GRIA1 1955/4885

“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.