SCHEMBL406443

SCHEMBL406443

CC(C)(C)c1cc(C=CC=O)cc(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.58
GABBR1 Q9UBS5 1/20 0.58
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
TRPA1 O75762 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
XDH P47989 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
HMGCR P04035 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL406442 1.00 GABBR2 (0.58) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL8011123 0.88 GABBR2 (0.51) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL8011119 0.88 GABBR2 (0.51) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL3369438 0.80 CCNB2 (0.55) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL3369434 0.80 CCNB2 (0.55) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL2294018 0.78 CYP1A2 (0.57) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL2294016 0.78 CYP1A2 (0.57) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL3201259 0.78 GABRA1 (0.39) GABBR2GABBR1ALDH1A1MAPK1GABRA1
SCHEMBL3717943 0.78 GABBR2 (0.44) GABBR2GABBR1ALDH1A1MAPK1TRPA1
SCHEMBL6554663 0.78 GABBR2 (0.44) GABBR2GABBR1ALDH1A1MAPK1TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877353-B2 Platinum (II) tetradentate ONCN complexes for organic light-emitting diode applications VERSITECH LIMITED (HK) 2014-11-04 US disclosed
US-20120018711-A1 PLATINUM (II) TETRADENTATE ONCN COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS THE UNIVERSITY OF HONG KONG (HK) 2012-01-26 US disclosed
WO-2012009957-A1 PLATINUM(II) TETRADENTATE O-N-C-N COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS VERSITECH LIMITED (CN) 2012-01-26 WO 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-20120018711-A1 PLATINUM (II) TETRADENTATE ONCN COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS PPOX, OCIAD2, PTN GABBR2 4518/4885GABBR1 4685/4885ALDH1A1 1507/4885

“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.