SCHEMBL16640352

SCHEMBL16640352

CC(C)c1cccc2c3ccccc3n(C(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 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
SCHEMBL26237868 0.81 BCHE (0.45) BCHEACHETSHRMAPTMAPK1
SCHEMBL16640327 0.81 MAPT (0.43) BCHEACHETSHRMAPTMAPK1
SCHEMBL26002677 0.81 BCHE (0.35) BCHEACHETSHRMAPTMAPK1
SCHEMBL18610705 0.80 MAPT (0.42) BCHEACHETSHRMAPTMAPK1
SCHEMBL20097152 0.80 ALKBH5 (0.59) BCHEACHETSHRMAPTMAPK1
SCHEMBL23072091 0.79 BCHE (0.43) BCHEACHETSHRMAPTMAPK1
SCHEMBL20097041 0.79 BCHE (0.43) BCHEACHETSHRMAPTMAPK1
SCHEMBL25784287 0.78 BCHE (0.40) BCHEACHETSHRMAPTMAPK1
SCHEMBL29780042 0.78 BCHE (0.59) BCHEACHETSHRMAPTMAPK1
SCHEMBL150044 0.78 BCHE (0.59) BCHEACHETSHRMAPTMAPK1

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-10020455-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-07-10 US disclosed
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-17 US disclosed
US-9947881-B2 Platinum complexes and devices ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-17 US disclosed
US-20170012224-A1 PLATINUM COMPLEXES AND DEVICES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-01-12 US disclosed
US-9385329-B2 Platinum complexes and devices Arizona Board of Regents on behalf of Arizona State University and Universal Display Corporation (US) 2016-07-05 US disclosed
US-20160043331-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-02-11 US disclosed
US-20150194616-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-07-09 US disclosed
US-20150105556-A1 PLATINUM COMPLEXES AND DEVICES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-04-16 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 (5 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-20150194616-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues PDCD1, PDCD5, PDCD11 BCHE 4738/4885ACHE 4276/4885TSHR 1417/4885
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP BCHE 3031/4885ACHE 3306/4885TSHR 206/4885
US-20160043331-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP BCHE 3031/4885ACHE 3306/4885TSHR 206/4885
US-10020455-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, HPRT1 BCHE 4836/4885ACHE 4482/4885TSHR 1271/4885
US-20170012224-A1 PLATINUM COMPLEXES AND DEVICES OXA1L, OCIAD1, OCIAD2 BCHE 3371/4885ACHE 3544/4885TSHR 3038/4885

“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.