SCHEMBL1637404

SCHEMBL1637404

c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3cccc(-c4ccc6ccccc6c4)c3)cc25)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
PGR P06401 2/20 0.44
PLA2G2A P14555 4/20 0.43
PLA2G4A P47712 4/20 0.43
PLA2G10 O15496 1/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALOX5 P09917 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL1636397 0.95 HSD17B1 (0.47) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL1636936 0.95 ESR1 (0.47) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL1636828 0.95 ESR1 (0.47) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL1636939 0.93 ESR1 (0.46) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL1636944 0.93 ESR1 (0.50) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL25052927 0.91 PLA2G2A (0.44) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL25052920 0.91 PLA2G2A (0.44) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL12037403 0.91 ESR1 (0.50) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL13979519 0.91 ESR1 (0.50) HSD17B1HSD17B2PGRPLA2G2APLA2G4A
SCHEMBL17932132 0.90 PLA2G2A (0.43) HSD17B1HSD17B2PGRPLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8409730-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-02 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8057919-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 US disclosed
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-10 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-20120112629-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, ILK HSD17B1 2951/4885HSD17B2 2629/4885PGR 1645/4885
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX HSD17B1 3037/4885HSD17B2 2748/4885PGR 2437/4885
US-20090302743-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX HSD17B1 3037/4885HSD17B2 2748/4885PGR 2437/4885

“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.