SCHEMBL416893

SCHEMBL416893

c1ccc2c(c1)c1cccc3cc4c(ccc5c6cccc7cccc(c76)c54)c2c31

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HSD17B10 Q99714 7/20 0.60
HPGD P15428 5/20 0.60
CYP1A2 P05177 4/20 0.60
THRB P10828 1/20 0.60
FYN P06241 2/20 0.59
ACHE P22303 2/20 0.59
AHR P35869 2/20 0.59
ERBB2 P04626 1/20 0.59
MAOA P21397 1/20 0.59
HPRT1 P00492 3/20 0.41
TSHR P16473 5/20 0.39
HIF1A Q16665 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 3/20 0.39
CASP1 P29466 2/20 0.39
CYP1B1 Q16678 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.35

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
SCHEMBL5480086 1.00 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4852527 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL11212018 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4850496 0.92 CYP1A2 (0.70) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4847347 0.92 CYP1A2 (0.70) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5466666 0.91 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL27576080 0.90 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4846707 0.90 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4846724 0.88 CYP1A2 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5481478 0.88 CYP1A2 (0.66) ALDH1A1HSD17B10HPGDCYP1A2THRB

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070207343-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-06 US claimed
US-20070202354-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO.,LTD (JP) 2007-08-30 US claimed
EP-1740019-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-01-03 EP claimed
EP-1737277-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2006-12-27 EP claimed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-8558221-B2 Polymeric compound containing dopant and host repeating units and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-15 US disclosed
US-20130187143-A1 ORGANIC EL DEVICE AND ANTHRACENE DERIVATIVE NISHIMURA KAZUKI (JP) 2013-07-25 US disclosed
US-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US disclosed
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 US disclosed
US-20110309337-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-12-22 US disclosed
CN-101057348-A Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2007-10-17 CN disclosed
US-20070207343-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-06 US disclosed
US-20070202354-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO.,LTD (JP) 2007-08-30 US disclosed
EP-1811585-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2007-07-25 EP disclosed
CN-1943278-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2007-04-04 CN disclosed
EP-1740019-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1737277-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2006-12-27 EP disclosed
US-20060110623-A1 Organic electroluminescence devices IDEMITSU KOSAN CO., LTD. (JP) 2006-05-25 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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR ALDH1A1 955/4885HSD17B10 1648/4885HPGD 3961/4885

“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.