SCHEMBL21392669

SCHEMBL21392669

c1ccc(-c2nc3ccc(-c4cccc(-c5nc6ccccc6n5-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccnc8)cc7)c7ccccc67)cc5)c4)cc3n2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
AOC3 Q16853 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
G6PD P11413 1/20 0.46
MDM2 Q00987 1/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DHFR P00374 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL26344500 0.92 ESR1 (0.51) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL26344503 0.90 MAPT (0.51) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL26344529 0.90 MAPT (0.51) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL26344375 0.90 MEN1 (0.56) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL21392438 0.90 ESR1 (0.55) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL21392663 0.89 ESR1 (0.56) MAPTMEN1KMT2AHSP90AA1ESR1
SCHEMBL26344501 0.88 MAPT (0.53) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL26344530 0.88 ESR1 (0.52) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL26344561 0.87 MEN1 (0.54) MAPTMEN1KMT2AHSP90AA1AOC3
SCHEMBL24813296 0.87 ESR1 (0.56) MAPTMEN1KMT2AHSP90AA1AOC3

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 MAPT 665/4885MEN1 1414/4885KMT2A 1198/4885

“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.