SCHEMBL713811

SCHEMBL713811

[c]1ccccc1-c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
HTT P42858 1/20 0.54
ESR2 Q92731 5/20 0.50
ESR1 P03372 4/20 0.50
RECQL P46063 1/20 0.50
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
GSK3B P49841 1/20 0.49
ROCK1 Q13464 1/20 0.49
GSR P00390 1/20 0.45
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
TSHR P16473 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 4/20 0.39

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
SCHEMBL714362 0.78 ALDH1A1 (0.54) MAPK1HTTRPS6KB1GSK3BTSHR
SCHEMBL804992 0.76 ESR2 (0.73) MAPK1HTTESR2ESR1RECQL
SCHEMBL541157 0.76 ESR2 (0.78) MAPK1HTTESR2ESR1RECQL
SCHEMBL13085156 0.76 RECQL (0.71) MAPK1HTTESR2ESR1RECQL
SCHEMBL16280947 0.76 MAPK1 (0.65) MAPK1HTTESR2ESR1RECQL
SCHEMBL713812 0.76 ESR2 (0.63) MAPK1HTTESR2ESR1RECQL
SCHEMBL21541088 0.76 MAPK1 (0.55) MAPK1HTTESR2ESR1RECQL
SCHEMBL28338917 0.75 ESR2 (0.76) MAPK1HTTESR2ESR1RECQL
SCHEMBL3257779 0.75 ESR2 (0.66) MAPK1HTTESR2ESR1RECQL
SCHEMBL29351258 0.75 ESR2 (0.66) MAPK1HTTESR2ESR1RECQL

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
CN-104194778-A Phosphorus-oxygen group modified N-phenyl-benzimidazole electronic transmission material and synthesis method thereof and preparation method of electrophosphorescence device UNIV HEILONGJIANG 2014-12-10 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
CN-102952120-A Compound for organic electroluminescent device and organic electroluminescent device using the same E RAY OPTOELECTRONICS TECH CO 2013-03-06 CN disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 MAPK1 2641/4885HTT 2214/4885ESR2 795/4885

“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.