SCHEMBL4549308

SCHEMBL4549308

Cc1cc(C)c2sc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(C)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP11B1 P15538 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PSMB5 P28074 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MPI P34949 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 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
SCHEMBL4549307 0.92 CYP1A2 (0.41) CYP1A2CYP2A6CYP11B1PSMB5ALDH1A1
SCHEMBL4549289 0.84 GPR84 (0.37) CYP1A2CYP2A6CYP11B1GPR84PSMB5
SCHEMBL14554441 0.81 PSMB5 (0.34) CYP1A2CYP2A6PSMB5ALDH1A1HPGD
SCHEMBL4549295 0.80 ALDH1A1 (0.41) CYP1A2CYP2A6CYP11B1GPR84ALDH1A1
SCHEMBL4549335 0.79 CYP1A2 (0.37) CYP1A2CYP2A6CYP11B1GPR84PSMB5
SCHEMBL12268514 0.78 NPC1 (0.34) CYP1A2CYP2A6PSMB5ALDH1A1MEN1
SCHEMBL4549311 0.77 CYP11B1 (0.44) CYP11B1GPR84ALDH1A1HPGDMEN1
SCHEMBL4549309 0.76 CYP11B1 (0.37) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL11949955 0.76 PSMB5 (0.33) PSMB5L3MBTL1
SCHEMBL10127912 0.75 MAPT (0.36) CYP1A2CYP2A6PSMB5ALDH1A1HPGD

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.