SCHEMBL668632

SCHEMBL668632

[c]1c(-c2ccccc2-c2cccc3ccccc23)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 6/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
DNMT1 P26358 1/20 0.37
HPRT1 P00492 1/20 0.35
HPGD P15428 4/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HIF1A Q16665 2/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PTPN1 P18031 1/20 0.34
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33

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
SCHEMBL668159 0.93 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL20774242 0.86 HPRT1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL668563 0.85 DNMT1 (0.45) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL20774341 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL16697744 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRDNMT1MAPK1
SCHEMBL667984 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10TSHRCYP2A6HPGD
SCHEMBL4722326 0.77 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL291172 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL20774036 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL239122 0.76 CYP2A6 (0.37) ALDH1A1HSD17B10TSHRTDP1CYP2A6

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 30 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
US-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
EP-2159217-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-03-03 EP 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

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-20080004445-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, PRDM9 ALDH1A1 291/4885HSD17B10 3259/4885TSHR 3975/4885
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 ALDH1A1 422/4885HSD17B10 2452/4885TSHR 3998/4885
US-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME TYR, DDC, OCIAD2 ALDH1A1 428/4885HSD17B10 3108/4885TSHR 4108/4885

“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.