SCHEMBL21392678

SCHEMBL21392678

CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5ccccc5c34)c3ccc(-c4ccc5c(-c6ccc7oc8ccccc8c7c6)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 9/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
PSMD14 O00487 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL21392433 0.89 PDE10A (0.38) PTGER4PDE10AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL26345483 0.89 PDE10A (0.39) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL26345599 0.89 PDE10A (0.39) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL21392436 0.88 ESR1 (0.47) ESR1ESR2PTGER4ALDH1A1CYP1A2
SCHEMBL21392576 0.87 PDE10A (0.39) PTGER4PDE10AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21392546 0.87 POLB (0.40) PTGER4PDE10AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21392581 0.86 ESR1 (0.37) ESR1ESR2PTGER4PDE10AALDH1A1
SCHEMBL21392578 0.85 ESR1 (0.48) ESR1ESR2PTGER4ALDH1A1CYP1A2
SCHEMBL21392540 0.85 ESR1 (0.48) ESR1ESR2PTGER4ALDH1A1SMN1; SMN2
SCHEMBL26345508 0.85 ESR1 (0.48) ESR1ESR2PTGER4ALDH1A1GRIA1

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.