SCHEMBL12136077

SCHEMBL12136077

c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(N(c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6)cc5)cc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRKDC P78527 5/20 0.36
▸ TSPO P30536 1/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL13969117 1.00 ALOX5 (0.43) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306845 1.00 ALOX5 (0.43) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL13969131 1.00 ALOX5 (0.43) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL13969114 1.00 ALOX5 (0.43) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL13969138 1.00 ALOX5 (0.43) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306941 0.99 ALOX5 (0.44) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306849 0.99 ALOX5 (0.44) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306891 0.99 ALOX5 (0.44) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306885 0.99 ALOX5 (0.44) ALOX5ATMKDM4EL3MBTL1PRKDC
SCHEMBL10306946 0.99 ALOX5 (0.44) ALOX5ATMKDM4EL3MBTL1PRKDC

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-20110278551-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-17 — — US disclosed
US-20110278551-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-17 — — 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-20110278551-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC7A5, ALKBH3, TYR ALOX5 1384/4885ATM 1793/4885KDM4E 430/4885

“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.

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