SCHEMBL9999520

SCHEMBL9999520

c1cc2cccc3c4ccc5c6nccc7cccc(c8ccc(c(c1)c23)c4c85)c76

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAU P00749 2/20 0.39
CYP2A6 P11509 1/20 0.39
F12 P00748 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
MAOA P21397 3/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
CCR1 P32246 5/20 0.38
CCR8 P51685 5/20 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
SCHEMBL29475320 0.96 CYP1A2 (0.44) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL30022648 0.96 CYP1A2 (0.44) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL5471458 0.96 CYP1A2 (0.44) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL30421514 0.94 CYP1A2 (0.43) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL2825543 0.92 PLAU (0.45) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL5478954 0.87 CYP1A2 (0.48) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL32665271 0.87 CYP1A2 (0.48) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL9999522 0.86 CYP1A2 (0.47) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL21803649 0.79 PSMD14 (0.42) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL9999521 0.78 CYP1A2 (0.46) CYP1A2ALDH1A1THRBHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3091/4885ALDH1A1 4321/4885THRB 4595/4885

“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.