SCHEMBL9999522

SCHEMBL9999522

c1cc2ccc3ccc4c5nccc6cccc(c7cc(c1)c2c3c74)c65

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
MAOA P21397 2/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
THRB P10828 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CCR1 P32246 4/20 0.36
CCR8 P51685 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CCR5 P51681 2/20 0.36
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL9999520 0.86 CYP1A2 (0.41) CYP1A2MAOAERBB2FYNACHE
SCHEMBL29475320 0.82 CYP1A2 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL5471458 0.82 CYP1A2 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL30022648 0.82 CYP1A2 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL2825543 0.82 PLAU (0.45) CYP1A2MAOAALDH1A1HPGDHSD17B10
SCHEMBL30421514 0.81 CYP1A2 (0.43) CYP1A2MAOAERBB2FYNACHE
SCHEMBL4765172 0.80 CYP1A2 (0.63) CYP1A2MAOAERBB2FYNACHE
SCHEMBL4854424 0.80 CYP1A2 (0.61) CYP1A2MAOAERBB2FYNACHE
SCHEMBL4763707 0.80 CYP1A2 (0.61) CYP1A2MAOAERBB2FYNACHE
SCHEMBL32665271 0.78 CYP1A2 (0.48) CYP1A2MAOAERBB2FYNACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190058132-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-21 US disclosed
US-8106199-B2 Infrared phosphorescent organic light emitting device; Platinum, Paladium, Iridium, Rhodium complex; cyclometalating ligands pyrenyl-pyridine, 1-pyrenyl-quinolone, pyrenyl-benziso-quinolone, 1-pyrenyl-iso-quinolone; acetylacetonate ancillary ligand; tunable emission intensity; undetectable to unaided eye ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-01-31 US disclosed
US-8106199-B2 Infrared phosphorescent organic light emitting device; Platinum, Paladium, Iridium, Rhodium complex; cyclometalating ligands pyrenyl-pyridine, 1-pyrenyl-quinolone, pyrenyl-benziso-quinolone, 1-pyrenyl-iso-quinolone; acetylacetonate ancillary ligand; tunable emission intensity; undetectable to unaided eye ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-01-31 US disclosed
US-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-10-30 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 (1 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-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials TPR, PICALM, AP3M1 CYP1A2 3091/4885MAOA 2118/4885ERBB2 1885/4885

“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.