SCHEMBL2126269

SCHEMBL2126269

CC(C)(C)c1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
BLM P54132 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTGS2 P35354 1/20 0.56
NTSR1 P30989 1/20 0.54
SNCA P37840 1/20 0.52
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
CYP1A2 P05177 1/20 0.45
P4HB P07237 4/20 0.44
TNFRSF1A P19438 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KRAS P01116 1/20 0.43

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
SCHEMBL2126271 1.00 SMN1; SMN2 (0.58) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL14918992 0.81 MAPT (0.81) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL14918994 0.81 MAPT (0.81) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL16453648 0.80 PTGS2 (0.70) MAPTPTGS2NTSR1SNCACYP1A1
SCHEMBL4918252 0.79 CYP1B1 (0.67) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL2126162 0.79 CYP1A1 (0.48) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL2126163 0.79 CYP1A1 (0.48) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL14918794 0.78 TDP1 (0.63) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL14918792 0.78 TDP1 (0.63) SMN1; SMN2TP53CYP3A4MAPTALOX15
SCHEMBL14918605 0.77 MAPT (0.59) SMN1; SMN2TP53CYP3A4MAPTALOX15

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
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 SMN1; SMN2 3911/4885TP53 768/4885CYP3A4 743/4885

“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.