SCHEMBL4549385

SCHEMBL4549385

Cc1cc(C)c2oc3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc(C)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
NUDT1 P36639 1/20 0.40
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 4/20 0.39
CSNK2A1 P68400 4/20 0.39
CYP11B1 P15538 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 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
SCHEMBL4549389 0.92 CYP1A2 (0.44) CYP1A2CYP2A6NUDT1CSNK2A2CSNK2B
SCHEMBL4549398 0.85 MAOB (0.41) NUDT1CYP11B1MAOBMAOANPC1
SCHEMBL4549375 0.82 ADORA3 (0.47) CYP1A2CYP2A6CYP11B1ADORA3ADORA2A
SCHEMBL14554386 0.82 NUDT1 (0.36) CYP1A2CYP2A6NUDT1CSNK2A2CSNK2B
SCHEMBL12268401 0.79 NUDT1 (0.34) NUDT1CSNK2A2CSNK2BCSNK2A1NPC1
SCHEMBL16405928 0.78 CSNK2A2 (0.40) NUDT1CSNK2A2CSNK2BCSNK2A1CYP11B1
SCHEMBL8281391 0.78 NPC1 (0.55) CYP1A2MAOBMAOANPC1RAB9A
SCHEMBL4549394 0.78 CYP11B1 (0.42) NUDT1CYP11B1ADORA3ADORA2AADORA1
SCHEMBL11949992 0.77 CSNK2A2 (0.34) NUDT1CSNK2A2CSNK2BCSNK2A1NPC1
SCHEMBL21157905 0.77 NUDT1 (0.44) NUDT1CSNK2A2CSNK2BCSNK2A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 675/4885CYP2A6 1094/4885NUDT1 877/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 CYP1A2 675/4885CYP2A6 1094/4885NUDT1 877/4885

“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.