SCHEMBL4979307

SCHEMBL4979307

c1cc2cccc3c4cc5cc6c(cc5cc4c(c1)c23)c1cccc2cccc6c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
HSD17B10 Q99714 9/20 0.57
HPGD P15428 6/20 0.57
CYP1A2 P05177 5/20 0.57
THRB P10828 1/20 0.57
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
TSHR P16473 8/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1B1 Q16678 3/20 0.47
CYP1A1 P04798 2/20 0.47
HIF1A Q16665 3/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CASP1 P29466 2/20 0.44
TP53 P04637 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL4168361 0.95 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4850148 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29543611 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4848771 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL634848 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL26440 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL6538859 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29906043 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benz(B)Anthracene SCHEMBL4978195 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL3942736 0.86 ALDH1A1 (0.55) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758363-B1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS CANON KK (JP) 2017-07-05 EP disclosed
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 US disclosed
EP-2379472-B1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2015-12-16 EP disclosed
US-9019328-B2 Organic compound, organic light-emitting device, and display apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-28 US disclosed
US-20140225968-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2014-08-14 US disclosed
US-20080074045-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
EP-1138745-B1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2007-03-28 EP disclosed
EP-1757670-A2 Organic electroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2007-02-28 EP disclosed
US-20070003788-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-01-04 US disclosed
US-20060024523-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-02-02 US disclosed
US-6818327-B2 COLOR PURITY, EFFICIENCY IDEMITSU KOSAN CO., LTD. (JP) 2004-11-16 US disclosed
US-6815090-B1 ACENAPTHO(1,2-K)FLUORANTHENE DERIVATIVES; COLOR PURITY, EFFICIENT LIGHT EMISSION, DURABILITY IDEMITSU KOSAN CO., LTD. (JP) 2004-11-09 US disclosed
US-20040214043-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2004-10-28 US disclosed
US-20030054200-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2003-03-20 US disclosed
EP-1138745-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2001-10-04 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-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME NR2E3, PUF60, CRY2 ALDH1A1 897/4885HSD17B10 972/4885HPGD 3473/4885

“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.