SCHEMBL13587706

SCHEMBL13587706

Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4cc5ccccc5cc4-c4ccccc4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C)c5)ccc4c(-c4cc5ccccc5cc4-c4ccccc4)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
GPR84 Q9NQS5 3/20 0.33
MAPT P10636 3/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
CYP51A1 Q16850 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB5 P28074 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13303907 0.88 SIGMAR1 (0.37) HSD17B1HSD17B2MAPTMAPK1TDP1
SCHEMBL13303904 0.85
SCHEMBL13792987 0.84 TDP1 (0.40) HSD17B1HSD17B2MAPTNR1I2LMNA
SCHEMBL13615778 0.83 HSD17B1 (0.35) HSD17B1HSD17B2MAPTCYP1A2CYP3A4
SCHEMBL22151752 0.82 CYP11B1 (0.39) HSD17B1HSD17B2GPR84MAPTLMNA
SCHEMBL13303900 0.82 SIGMAR1 (0.40) MAPTNR1I2LMNACYP1A2CYP3A4
SCHEMBL25778845 0.81 HSD17B1 (0.38) HSD17B1HSD17B2MAPTNR1I2LMNA
SCHEMBL25778897 0.81 ESR1 (0.38) HSD17B1HSD17B2GPR84MAPTNR1I2
SCHEMBL9963836 0.81 HSD17B1 (0.41) HSD17B1HSD17B2MAPTSIGMAR1MEN1
SCHEMBL9963849 0.81 HSD17B1 (0.41) HSD17B1HSD17B2MAPTSIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
EP-2098532-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-09 EP disclosed
EP-2090637-A1 Organic electroluminescent compounds and light emitting diode using the same Gracel Display Inc. (KR) 2009-08-19 EP disclosed
EP-2085450-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-08-05 EP disclosed
US-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same GRACEL DISPLAY INC. (KR) 2009-07-30 US disclosed
US-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same GRACEL DISPLAY INC. (KR) 2009-07-30 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 (3 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-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same OCIAD1, AOX1, OCIAD2 PTGS2 1618/4885HSD17B1 504/4885HSD17B2 897/4885
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 PTGS2 1889/4885HSD17B1 1457/4885HSD17B2 1877/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 PTGS2 1682/4885HSD17B1 1337/4885HSD17B2 1798/4885

“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.