SCHEMBL2126166

SCHEMBL2126166

CC(C)(C)c1ccc(C(=CC=O)c2ccc(F)c(F)c2)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NR1H4 Q96RI1 3/20 0.35
EPHX2 P34913 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
PPARG P37231 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL2126272 0.80 CES2 (0.40) TDP1NR1H4EPHX2CES2CES1
SCHEMBL2126162 0.69 CYP1A1 (0.48) TDP1CES2CES1PTGS2MEN1
SCHEMBL2126163 0.69 CYP1A1 (0.48) TDP1CES2CES1PTGS2MEN1
SCHEMBL28031837 0.69 HDAC1 (0.48) TDP1NR1H4EPHX2MEN1KMT2A
SCHEMBL10183565 0.66 ALDH1A1 (0.43) TDP1GAAMEN1KMT2AMAPT
SCHEMBL828570 0.66 ALDH1A1 (0.46) TDP1CES2CES1GAAMEN1
SCHEMBL28221419 0.66 CES2 (0.50) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL31350139 0.65 TDP1 (0.50) TDP1NR1H4CES2GAAMEN1
SCHEMBL4631399 0.65 TDP1 (0.59) TDP1NR1H4EPHX2ALDH1A1SMN1; SMN2
SCHEMBL27895079 0.65 ALDH1A1 (0.39) TDP1NR1H4CES2PPARGGAA

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
CN-105576138-B Platinum (II) isoquinoline-pyridine-benzene-based complex, preparation method thereof and organic light emitting diode prepared therefrom 港大科桥有限公司 2020-12-25 CN disclosed
EP-2443132-B1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM VERSITECH LTD (CN) 2018-10-10 EP disclosed
EP-2443132-A1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM Versitech Limited (CN) 2012-04-25 EP disclosed
WO-2010145190-A1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM THE UNIVERSITY OF HONG KONG (CN) 2010-12-23 WO disclosed
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes VERSITECH LIMITED (CN) 2010-12-16 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 (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-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes OCIAD2, PDCD1LG2, PDCD2L TDP1 3287/4885NR1H4 391/4885EPHX2 1854/4885

“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.