SCHEMBL13008985

SCHEMBL13008985

c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HPGD P15428 2/20 0.35
HTR3A P46098 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MET P08581 1/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 3/20 0.33
MAPK8 P45983 1/20 0.33
GSTP1 P09211 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 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
SCHEMBL13009390 1.00 HSP90AA1 (0.36) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13009236 0.99 HSP90AA1 (0.35) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13008787 0.96 HPGD (0.35) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13009395 0.96 HPGD (0.35) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13426994 0.96 ESR1 (0.36) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13426984 0.95 HPGD (0.35) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13008784 0.95 HSD17B1 (0.36) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13426982 0.95 HSD17B1 (0.36) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13009318 0.95 ESR1 (0.35) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1
SCHEMBL13008778 0.95 ESR1 (0.36) HSP90AA1HPGDHTR3ACYP1A2ALDH1A1

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-2256176-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-12-01 EP disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
EP-2141214-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-06 EP 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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HSP90AA1 4086/4885HPGD 4470/4885HTR3A 3207/4885

“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.