SCHEMBL840396

SCHEMBL840396

N#Cc1ccccc1B(O)OCCCOB(O)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR2 Q92731 1/20 0.33
NLRP3 Q96P20 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28813910 0.93 GAA (0.37) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL9894281 0.92 GAA (0.33) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL1138569 0.88 ESR2 (0.35) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL18411232 0.83 GAA (0.43) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL28213045 0.77 TSHR (0.38) GAATSHRKDM4EESR2
SCHEMBL28043669 0.77 TSHR (0.38) GAATSHRKDM4EL3MBTL1ALDH1A1
SCHEMBL11608 0.73 TSHR (0.50) GAATSHRL3MBTL1ALDH1A1ESR2
SCHEMBL29468918 0.73 TSHR (0.50) GAATSHRL3MBTL1ALDH1A1ESR2
1,3-Propanediol SCHEMBL4733793 0.71 TSHR (0.41) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL841740 0.71 HTR1A (0.35) GAATSHRKDM4EHPGDL3MBTL1

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-8889864-B2 Metal complexes of cyclometallated imidazo[1,2-f]phenanthridine and diimidazo[1,2-a:1′,2′-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION (US) 2014-11-18 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 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 GAA 3715/4885TSHR 4444/4885KDM4E 3612/4885

“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.