SCHEMBL21392581

SCHEMBL21392581

CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccc(-c4ccc5c(-c6ccc7sc8ccccc8c7c6)c6ccccc6c(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c5c4)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGER4 P35408 1/20 0.36
PDE10A Q9Y233 4/20 0.34
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 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
SCHEMBL26345600 0.89 KDM4E (0.38) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL26345485 0.89 KDM4E (0.38) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL21392458 0.88 PTGER4 (0.35) ESR1ESR2PTGER4PDE10AGRIA1
SCHEMBL21392678 0.86 ESR1 (0.37) ESR1ESR2PTGER4PDE10AGRIA1
SCHEMBL26345483 0.85 PDE10A (0.39) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL26345599 0.85 PDE10A (0.39) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL26345509 0.85 ESR2 (0.48) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL21392562 0.85 KDM4E (0.39) ESR1ESR2PTGER4PDE10AGRIA1
SCHEMBL21392653 0.85 RECQL (0.41) ESR1ESR2PTGER4PDE10AGRIA1
SCHEMBL26345604 0.84 KDM4E (0.39) ESR1ESR2PTGER4PDE10AGRIA1

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-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 ESR1 4/4885ESR2 33/4885PTGER4 1806/4885

“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.