SCHEMBL841655

SCHEMBL841655

CC(C)Cc1ccc([N+](=O)[O-])cc1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
FBP1 P09467 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13248046 0.93 POLB (0.49) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL3032856 0.86 CYP1A2 (0.57) TSHRALDH1A1TDP1CYP1A2HTT
SCHEMBL18402915 0.86 ALDH1A1 (0.56) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL17449717 0.84 HSD17B10 (0.55) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL22664416 0.84 ALDH1A1 (0.47) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL11335572 0.84 GABRA1 (0.54) TSHRALDH1A1HTTLMNASMN1; SMN2
SCHEMBL12102476 0.80 MEN1 (0.40) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL1293384 0.80 VCAM1 (0.54) TSHRALDH1A1TDP1CYP1A2FBP1
SCHEMBL7358571 0.80 ALDH1A1 (0.43) TSHRALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL1548227 0.80 CA2 (0.46) ALDH1A1TDP1CYP1A2CYP3A4POLB

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-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 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-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C TSHR 4444/4885ALDH1A1 1365/4885TDP1 1947/4885

“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.