SCHEMBL17720629

SCHEMBL17720629

c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5-c5ccccc5)cc4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.39
▸ PLA2G2A P14555 4/20 0.38
▸ PLA2G4A P47712 4/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ TNKS O95271 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 3/20 0.33

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
SCHEMBL17720604 1.00 AHR (0.39) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720655 0.99 PLA2G2A (0.40) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720663 0.97 PLA2G2A (0.39) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720622 0.97 ALOX5 (0.40) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720658 0.97 ALOX5 (0.40) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL18854425 0.96 MMP12 (0.40) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL18854418 0.96 MMP12 (0.40) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720617 0.96 ALOX5 (0.41) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720661 0.96 PLA2G2A (0.42) AHRPLA2G2APLA2G4AMMP12MMP13
SCHEMBL17720669 0.95 AHR (0.39) AHRPLA2G2APLA2G4AMMP12MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9947875-B2 Amine derivatives, material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-17 — — US disclosed
US-9947875-B2 Amine derivatives, material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-17 — — US disclosed
US-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 — — US disclosed
US-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 — — 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-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME PNMT, ODC1, ALKBH1 AHR 1159/4885PLA2G2A 3918/4885PLA2G4A 4375/4885

“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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