SCHEMBL21709137

SCHEMBL21709137

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
NTSR1 P30989 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 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
SCHEMBL20954050 0.98 ALOX5 (0.52) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL30757478 0.98 ALOX5 (0.52) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL13871681 0.96 ALOX5 (0.53) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL13916745 0.94 ALOX5 (0.55) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL18327640 0.91 ALOX5 (0.46) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL2709851 0.90 ALOX5 (0.59) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL29591632 0.90 ALOX5 (0.59) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL17932321 0.89 ALOX5 (0.43) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL24527237 0.89 KDM4E (0.48) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL9958607 0.89 ALOX5 (0.46) ALOX5ESR1ESR2MEN1KMT2A

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-20220199911-A1 AN ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-06-23 US disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO 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-20220199911-A1 AN ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT AND AN ELECTRONIC DEVICE THEREOF ESR1, EML4, OCIAD1 ALOX5 1718/4885ESR1 1/4885ESR2 26/4885

“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.