SCHEMBL1720548

SCHEMBL1720548

Nc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c(N)c(-c3ccc(-c4ccccc4)cc3)c2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
TAAR1 Q96RJ0 3/20 0.71
HSD17B10 Q99714 2/20 0.71
ALDH1A1 P00352 6/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 1/20 0.46
MAOA P21397 4/20 0.44
ACHE P22303 2/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL12478795 1.00 CYP3A4 (0.71) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL39988 0.98 CYP3A4 (0.67) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL10522604 0.98 CYP3A4 (0.67) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL807664 0.90 CYP3A4 (0.78) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL20323054 0.90 CYP3A4 (0.78) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL13310879 0.90 CYP3A4 (0.78) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL9073920 0.90 TAAR1 (0.58) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL9330651 0.87 CYP3A4 (0.59) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL5030574 0.87 HSD17B10 (0.48) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL6409531 0.87 TDP1 (0.54) CYP3A4TDP1TAAR1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128314-A1 POLYCYCLIC AROMATIC COMPOUND 国立大学法人京都大学 2024-06-20 WO disclosed
US-20240107793-A1 SHEET RESISTANCE COMPONENT NOVALED GMBH (DE) 2024-03-28 US disclosed
US-20240081146-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2024-03-07 US disclosed
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 US disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
US-11723263-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-08 US disclosed
US-11711934-B2 Metal amides for use as HIL for an organic light-emitting diode (OLED) NOVALED GMBH (DE) 2023-07-25 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
EP-2684932-A1 Diarylamino matrix material doped with a mesomeric radialene compound Novaled AG (DE) 2014-01-15 EP disclosed
EP-2423206-B1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2014-01-08 EP disclosed
US-20130221334-A1 THIADIAZOLE, COMPOUND FOR LIGHT-EMITTING ELEMENTS, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING APPARATUS, AUTHENTICATION APPARATUS, AND ELECTRONIC DEVICE SEIKO EPSON CORPORATION (JP) 2013-08-29 US disclosed
WO-2013112557-A1 PHOSPHORESCENT ORGANIC LIGHT EMITTING DEVICES HAVING A HOLE TRANSPORTING COHOST MATERIAL IN THE EMISSIVE REGION UNIVERSAL DISPLAY CORPORATION (US) 2013-08-01 WO disclosed
US-20130037784-A1 THIADIAZOLE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING APPARATUS, AUTHENTICATION APPARATUS, AND ELECTRONIC DEVICE SEIKO EPSON CORPORATION (JP) 2013-02-14 US disclosed
WO-2013022419-A1 PHOSPHORESCENT ORGANIC LIGHT EMITTING DEVICES COMBINED WITH HOLE TRANSPORT MATERIAL HAVING HIGH OPERATING STABILITY UNIVERSAL DISPLAY CORPORATION (US) 2013-02-14 WO disclosed
EP-1486549-B1 ORGANIC ELECTROLUMINESCENT ELEMENT TOYOTA JIDOSHOKKI KK (JP) 2012-01-11 EP disclosed
US-7338720-B2 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-03-04 US disclosed
US-20050089713-A1 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2005-04-28 US disclosed
EP-1486549-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-12-15 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 (9 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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 CYP3A4 685/4885TDP1 2533/4885TAAR1 448/4885
US-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR CYP3A4 382/4885TDP1 2715/4885TAAR1 354/4885
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 CYP3A4 271/4885TDP1 2380/4885TAAR1 1615/4885
US-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP3A4 2378/4885TDP1 1807/4885TAAR1 2418/4885
US-20130037784-A1 THIADIAZOLE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING APPARATUS, AUTHENTICATION APPARATUS, AND ELECTRONIC DEVICE CYP3A4, CYP2E1, TH CYP3A4 1/4885TDP1 3496/4885TAAR1 1591/4885
US-11723263-B2 Organic electroluminescent element NR4A3, AFF4, NR4A1 CYP3A4 394/4885TDP1 3425/4885TAAR1 1187/4885
US-11800785-B2 Material for organic device and organic electroluminescent device using the same RER1, LEF1, CHRM1 CYP3A4 1892/4885TDP1 1100/4885TAAR1 639/4885
US-20240081146-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF OCIAD1, SLCO4C1, SLCO1B3 CYP3A4 137/4885TDP1 3111/4885TAAR1 3364/4885
US-20050089713-A1 Organic electroluminescent element SOD3, CELF2, SOD1 CYP3A4 680/4885TDP1 2575/4885TAAR1 4114/4885

“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.