SCHEMBL669469

SCHEMBL669469

[c]1cccc(-c2cccc3ccccc23)c1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 3/20 0.37
PTPN1 P18031 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 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
SCHEMBL18258983 0.98 CYP2A6 (0.39) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL668681 0.87 MAPT (0.42) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL668822 0.87 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL646330 0.85 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL17136293 0.83 ALDH1A1 (0.36) CYP1A2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3841865 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL18957552 0.83 KDM4E (0.38) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL8434859 0.83 CYP2A6 (0.50) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL9614637 0.83 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL578393 0.82 ALDH1A1 (0.39) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990844-B1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2016-07-20 EP disclosed
US-9214636-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-12-15 US disclosed
EP-2085371-B1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO (JP) 2015-10-07 EP disclosed
US-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 US disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
EP-2351759-B1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2014-05-14 EP disclosed
EP-2675800-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-12-25 EP disclosed
US-20130331583-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute of Chemistry, Chinesse Academy of Sciences 2013-12-12 US disclosed
US-8597800-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-12-03 US disclosed
US-20130306957-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO ., LTD. (JP) 2013-11-21 US disclosed
EP-2124270-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-11-25 EP disclosed
EP-2085371-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2009-08-05 EP disclosed
US-20090167156-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-07-02 US disclosed
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
EP-2008992-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-31 EP disclosed
EP-1990844-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20080004445-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-01-03 US disclosed
US-20070243411-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-10-18 US disclosed
EP-1565510-A1 PRODUCTION OF POLYCARBONATE WITH PARTICULARLY LITTLE DAMAGE DUE TO OXYGEN Bayer MaterialScience AG (DE) 2005-08-24 EP disclosed
WO-2004037894-A1 PRODUCTION OF POLYCARBONATE WITH PARTICULARLY LITTLE DAMAGE DUE TO OXYGEN BAYER MATERIALSCIENCE AG (DE) 2004-05-06 WO 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 (2 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-20080004445-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, PRDM9 CYP2A6 2770/4885CYP1A2 507/4885ALDH1A1 291/4885
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 CYP2A6 3527/4885CYP1A2 927/4885ALDH1A1 422/4885

“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.