SCHEMBL13023868

SCHEMBL13023868

c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
AKT1 P31749 8/20 0.48
AKT2 P31751 3/20 0.46
RECQL P46063 1/20 0.46
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
GSK3B P49841 1/20 0.45
ROCK1 Q13464 1/20 0.45
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
PDE10A Q9Y233 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL15197419 1.00 ESR1 (0.52) ESR1ESR2ALDH1A1TSHRCYP2C19
SCHEMBL15437481 0.93 ESR1 (0.57) ESR1ESR2ALDH1A1TSHRCYP2C19
SCHEMBL65343 0.93 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C19AKT1AKT2
SCHEMBL18082487 0.92 ESR1 (0.56) ESR1ESR2ALDH1A1TSHRCYP2C19
SCHEMBL13053031 0.91 ALDH1A1 (0.54) ALDH1A1TSHRCYP2C19AKT1AKT2
SCHEMBL13053034 0.87 AKT1 (0.51) ALDH1A1TSHRCYP2C19AKT1AKT2
SCHEMBL13998758 0.87 AKT1 (0.53) ALDH1A1TSHRCYP2C19AKT1AKT2
SCHEMBL13314059 0.87 AKT1 (0.57) ALDH1A1TSHRCYP2C19AKT1AKT2
SCHEMBL64508 0.87 ESR2 (0.66) ESR1ESR2ALDH1A1TSHRCYP2C19
SCHEMBL3257779 0.87 ESR2 (0.66) ESR1ESR2ALDH1A1TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180040835-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US disclosed
US-20180040835-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US disclosed
US-8759819-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-06-24 US disclosed
US-8759819-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-06-24 US disclosed
US-20140131680-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-05-15 US disclosed
US-20140131680-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-05-15 US disclosed
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-20130153874-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-06-20 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 US disclosed
US-20100283043-A1 ORGANIC EL ELEMENT IDEMITSU LOSAN CO., LTD. 2010-11-11 US disclosed
US-20100283043-A1 ORGANIC EL ELEMENT IDEMITSU LOSAN CO., LTD. 2010-11-11 US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 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-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EMC2, L1CAM, EMC1 ESR1 83/4885ESR2 294/4885ALDH1A1 2798/4885

“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.