SCHEMBL4549368

SCHEMBL4549368

c1ccc(-c2cccc3c2oc2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRKDC P78527 5/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
GGPS1 O95749 1/20 0.40
ATM Q13315 1/20 0.40
AHR P35869 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38

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
SCHEMBL4549396 1.00 ALOX5 (0.56) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL16302981 0.98 ALOX5 (0.58) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4549370 0.97 ALOX5 (0.56) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4549369 0.95 ALOX5 (0.59) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL15195398 0.94 ALOX5 (0.51) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4549380 0.91 ALOX5 (0.54) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL22855199 0.91 ALOX5 (0.48) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4549384 0.91 ALOX5 (0.51) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL430447 0.90 ALDH1A1 (0.55) ALOX5ALDH1A1HPGDHSD17B10TSHR
SCHEMBL25049768 0.90 ALOX5 (0.47) ALOX5ALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020127165-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-9406889-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406889-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-18 US disclosed
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-18 US disclosed
US-8968888-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-03 US disclosed
US-8968888-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-03 US disclosed
US-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-03 US disclosed
US-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-03 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 (2 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-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 ALOX5 3393/4885ALDH1A1 584/4885HPGD 2088/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 ALOX5 3393/4885ALDH1A1 584/4885HPGD 2088/4885

“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.