SCHEMBL4549307

SCHEMBL4549307

Cc1cc(C)c2sc3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc(C)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2A6 P11509 3/20 0.41
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 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
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB5 P28074 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MPI P34949 1/20 0.32

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
SCHEMBL4549308 0.92 CYP1A2 (0.44) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL4549309 0.85 CYP11B1 (0.37) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL4549303 0.82 CYP11B1 (0.41) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL14554421 0.82 AR (0.33) CYP1A2CYP2A6ALDH1A1PSMB5MAPT
SCHEMBL12268448 0.79 NPC1 (0.33) PSMB5NPC1
SCHEMBL19862511 0.78 PSMB5 (0.35) CYP2A6CYP11B1PSMB5METAP2
SCHEMBL16405903 0.78 PSMB5 (0.35) CYP2A6CYP11B1PSMB5METAP2
SCHEMBL21157803 0.78 CYP1A2 (0.34) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL4549317 0.78 CYP11B1 (0.42) CYP11B1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL11949944 0.77 PSMB5 (0.32) PSMB5PTGER4

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 1094/4885CYP11B1 286/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 CYP1A2 675/4885CYP2A6 1094/4885CYP11B1 286/4885

“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.