SCHEMBL4549318

SCHEMBL4549318

c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
MPI P34949 1/20 0.45
LIMK1 P53667 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.43
GPR84 Q9NQS5 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MCL1 Q07820 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
SCHEMBL4549316 0.95 CYP11B1 (0.46) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10018875 0.89 ALOX5 (0.49) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4549303 0.88 CYP11B1 (0.41) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4549284 0.88 ALOX5 (0.58) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4549317 0.86 CYP11B1 (0.42) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2691143 0.86 ALOX5 (0.57) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4549282 0.86 ALOX5 (0.57) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15857007 0.84 CYP1B1 (0.46) ALDH1A1LIMK1TSHRHIF1AHSD17B10
SCHEMBL24475261 0.84 LIMK1 (0.43) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17775867 0.83 ALOX5 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170077425-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-16 US disclosed
US-20170077425-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-16 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-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 (3 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 CYP11B1 286/4885ALDH1A1 584/4885MEN1 1318/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 CYP11B1 286/4885ALDH1A1 584/4885MEN1 1318/4885
US-20170077425-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, EML4, EPCAM CYP11B1 2304/4885ALDH1A1 886/4885MEN1 2280/4885

“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.