SCHEMBL1705445

SCHEMBL1705445

Cc1cc(Br)c2ccc3c(C)cc(Br)c4ccc1c2c34

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CFB P00751 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL14302441 0.97 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL14278660 0.97 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL18094451 0.92 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL17068910 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL17301471 0.87 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL17083625 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16558531 0.84 TSHR (0.30) TSHR
SCHEMBL14450395 0.83
SCHEMBL17332327 0.81 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10MAPK1KDM4E
SCHEMBL1005904 0.80 HSP90AA1 (0.33) ALDH1A1TDP1KDM4EMEN1KMT2A

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
CN-109776335-B Amine derivative of pyrene, preparation method, application and device thereof 武汉尚赛光电科技有限公司 2022-03-18 CN disclosed
US-9923146-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed
US-9923146-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
EP-2441750-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-04-18 EP disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 US disclosed
CN-1953960-B Aromatic amine derivative, organic electroluminescent device using the same, and method for preparing aromatic amine derivative IDEMITSU PETROCHEMICAL CO 2011-06-08 CN disclosed
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same IDEMITSU KOSAN CO., LTD. (JP) 2008-01-17 US disclosed
US-20070252511-A1 Aromatic Amine Derivative, Organic Electroluminescent Element Employing the Same, and Process for Producing Aromatic Amine Derivative IDEMITSU KOSAN CO., LTD. (JP) 2007-11-01 US disclosed
CN-1953960-A Aromatic amine derivative, organic electroluminescent device using the same, and method for preparing aromatic amine derivative IDEMITSU KOSAN CO (JP) 2007-04-25 CN disclosed
EP-1746085-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME, AND PROCESS FOR PRODUCING AROMATIC AMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2007-01-24 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 (5 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-20070252511-A1 Aromatic Amine Derivative, Organic Electroluminescent Element Employing the Same, and Process for Producing Aromatic Amine Derivative TYR, MAOA, DDC ALDH1A1 309/4885CYP3A4 223/4885HPGD 2461/4885
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same CCNL2, CYP1A1, AHR ALDH1A1 1361/4885CYP3A4 202/4885HPGD 3604/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 ALDH1A1 672/4885CYP3A4 1629/4885HPGD 4657/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 ALDH1A1 672/4885CYP3A4 1629/4885HPGD 4657/4885
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 ALDH1A1 237/4885CYP3A4 3108/4885HPGD 1085/4885

“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.