SCHEMBL4979724

SCHEMBL4979724

c1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5cccc6cccc(c23)c65)c2cccc3cccc4c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
CYP1A2 P05177 4/20 0.45
HSD17B10 Q99714 4/20 0.45
THRB P10828 1/20 0.45
ACHE P22303 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
AHR P35869 1/20 0.41
ESR1 P03372 6/20 0.41
ESR2 Q92731 5/20 0.41
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 2/20 0.37
HIF1A Q16665 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL23081351 0.96 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL14262642 0.87 CYP1A2 (0.37) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL12683584 0.86 CYP1A2 (0.36) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL503375 0.86 CYP1A2 (0.44) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL1061284 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL25630679 0.84 ESR1 (0.35) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL5413836 0.84 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL14262644 0.83 CYP1A2 (0.33) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL15373022 0.82 CYP1A2 (0.38) ALDH1A1HPGDCYP1A2HSD17B10ACHE
SCHEMBL28753940 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 897/4885HPGD 3473/4885CYP1A2 917/4885

“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.