SCHEMBL16773266

SCHEMBL16773266

c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CYP1A1 P04798 5/20 0.33
▸ CYP1A2 P05177 5/20 0.33
▸ CYP1B1 Q16678 5/20 0.33
▸ PLA2G2A P14555 3/20 0.33
▸ PLA2G4A P47712 3/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL16773381 0.98 ALOX5 (0.36) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL26056435 0.98 ALOX5 (0.36) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL16773707 0.95 ALOX5 (0.35) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL25731056 0.95 ALOX5 (0.38) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL25731287 0.94 PLA2G2A (0.37) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL25731218 0.94 MMP12 (0.35) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL19598822 0.94 ALOX5 (0.37) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL24889968 0.94 KDM4E (0.37) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL23471784 0.93 ALOX5 (0.36) ALOX5KDM4EHPGDHSD17B10MAPT
SCHEMBL25731023 0.93 ALOX5 (0.36) ALOX5KDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 — — US disclosed
US-10446759-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2019-10-15 — — US disclosed
US-10396297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 — — EP disclosed
EP-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 — — EP disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 — — US disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 — — US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 — — US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 — — US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 — — US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 — — WO disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 — — 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 (7 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-10446759-B2 Phenanthrene compounds for organic electronic devices PAH, CYP1A1, AHR ALOX5 1828/4885KDM4E 1217/4885HPGD 309/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALOX5 1828/4885KDM4E 1217/4885HPGD 309/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT ALOX5 966/4885KDM4E 3105/4885HPGD 477/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC ALOX5 3634/4885KDM4E 3894/4885HPGD 4368/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT ALOX5 966/4885KDM4E 3105/4885HPGD 477/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 ALOX5 4152/4885KDM4E 3864/4885HPGD 4429/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALOX5 1828/4885KDM4E 1217/4885HPGD 309/4885

“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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