SCHEMBL500585

SCHEMBL500585

O=c1[nH]c2ccccc2c2c(-c3ccc4ccc5cccc6ccc3c4c56)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ TNKS O95271 2/20 0.49
▸ TNKS2 Q9H2K2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GPR3 P46089 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PARP15 Q460N3 1/20 0.49
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41

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
SCHEMBL500222 0.79 KDR (0.55) PARP1KDM4EALDH1A1CYP1A2TNKS
SCHEMBL460847 0.78 KDM4E (0.57) PARP1KDM4EALDH1A1CYP1A2TNKS
SCHEMBL27694292 0.78 ALDH1A1 (0.64) KDM4EALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL27717804 0.78 KIF11 (0.57) CYP1A2CDK4CCND1ERBB2FYN
SCHEMBL20227597 0.76 KDM4E (0.44) PARP1KDM4EALDH1A1CYP1A2TNKS
SCHEMBL2956150 0.76 ALDH1A1 (0.64) KDM4EALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL441488 0.74 HSD17B10 (0.56) ALDH1A1CYP1A2HSD17B10ERBB2FYN
SCHEMBL5334139 0.74 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL9777839 0.72 ALDH1A1 (0.54) PARP1KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL444017 0.72 ALDH1A1 (0.60) ALDH1A1CYP1A2HSD17B10MEN1LMNA

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 4 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 claimed
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 claimed
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 PARP1 1385/4885KDM4E 2859/4885ALDH1A1 4321/4885

“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.

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