SCHEMBL21135191

SCHEMBL21135191

c1ccc(-c2nnc(-c3c(-n4c(-c5ccccc5)nc5ccccc54)cccc3-n3c(-c4ccccc4)nc4ccccc43)n2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
AVPR1A P37288 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.42
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL21135048 0.86 ESR1 (0.55) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL21134993 0.85 ESR1 (0.56) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL21135190 0.83 ESR1 (0.51) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL21135085 0.83 ESR2 (0.72) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL23266579 0.82 ESR1 (0.56) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL17030715 0.82 KDM4E (0.49) AVPR1AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL21135001 0.81 ESR2 (0.70) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL21135084 0.81 ESR1 (0.49) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL541157 0.81 ESR2 (0.78) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL23266684 0.80 ESR1 (0.52) ESR1ESR2MAPK1HTTGRIA1

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 ESR1 120/4885ESR2 527/4885MAPK1 604/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 ESR1 120/4885ESR2 527/4885MAPK1 604/4885

“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.