SCHEMBL2126162

SCHEMBL2126162

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.48
CYP1B1 Q16678 5/20 0.48
NTSR1 P30989 1/20 0.44
PTGS2 P35354 1/20 0.42
SNCA P37840 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 3/20 0.39
P4HB P07237 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 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
SCHEMBL2126163 1.00 CYP1A1 (0.48) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL2126271 0.79 SMN1; SMN2 (0.58) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL2126269 0.79 SMN1; SMN2 (0.58) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL6990311 0.72 CES2 (0.64) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL6990314 0.72 CES2 (0.64) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL16453648 0.70 PTGS2 (0.70) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL21651087 0.69 LMNA (0.55) CYP1A1CYP1B1MAPTCYP3A4MAPK1
SCHEMBL2126166 0.69 TDP1 (0.35) PTGS2MAPTSMN1; SMN2TDP1MEN1
SCHEMBL1322379 0.68 SNCA (0.56) CYP1A1CYP1B1NTSR1PTGS2SNCA
SCHEMBL1322382 0.68 SNCA (0.56) CYP1A1CYP1B1NTSR1PTGS2SNCA

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 CYP1A1 1599/4885CYP1B1 961/4885NTSR1 4575/4885

“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.