SCHEMBL17720599

SCHEMBL17720599

c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ TNKS O95271 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ NPC1 O15118 2/20 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
SCHEMBL17720665 0.99 AHR (0.39) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720652 0.96 PLA2G2A (0.38) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720600 0.96 AHR (0.39) AHRMEN1KMT2AMAPTHPGD
SCHEMBL24472294 0.96 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL24472253 0.96 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL24472512 0.96 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720670 0.95 AHR (0.38) AHRMEN1KMT2AMAPTHPGD
SCHEMBL24472510 0.95 AHR (0.40) AHRMEN1KMT2AMAPTHPGD
SCHEMBL19543751 0.95 AHR (0.40) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720598 0.95 AHR (0.40) AHRMEN1KMT2AMAPTHPGD

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 1159/4885MEN1 500/4885KMT2A 125/4885

“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.

Send feedback