SCHEMBL3976447

SCHEMBL3976447

Cc1cccc(Nc2ccc3ccccc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP2A6 P11509 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NFKB1 P19838 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL30003996 1.00 CYP3A4 (0.68) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL29681562 0.89 ALDH1A1 (0.63) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL20342387 0.86 CYP2A6 (0.68) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL16344103 0.86 ALDH1A1 (0.64) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL7928040 0.86 ALDH1A1 (0.83) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL14676195 0.84 NPSR1 (0.53) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL29489400 0.84 HPGD (0.73) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL1011514 0.84 HPGD (0.73) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL19866508 0.84 NPSR1 (0.95) CYP3A4ALDH1A1HSD17B10HPGDNPSR1
SCHEMBL10523964 0.83 NPSR1 (0.86) CYP3A4ALDH1A1HSD17B10HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554360-A2 ORGANIC ELECTROLUMINESCENT COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-20 EP claimed
WO-2004099338-A2 ORGANIC ELECTROLUMINESCENT COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-18 WO claimed
US-20040062947-A1 Organic electroluminescent compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US claimed
EP-2933852-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2023-09-06 EP disclosed
CN-110790629-B Application of chiral spirofluorene isomer in electronic component with chiral correlation function 南京工业大学 2022-10-14 CN disclosed
CN-110790629-A Application of chiral spirofluorene isomer in electronic component with chiral correlation function 南京工业大学 2020-02-14 CN disclosed
US-9748493-B2 Aromatic amine-terphenyl compounds and use thereof in organic semiconducting components NOVALED GMBH (DE) 2017-08-29 US disclosed
EP-2933852-B1 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2017-05-17 EP disclosed
EP-2933852-B1 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2017-05-17 EP disclosed
US-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs NOVALED GMBH (DE) 2017-02-16 US disclosed
US-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs NOVALED GMBH (DE) 2017-02-16 US disclosed
US-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2005-10-13 US disclosed
WO-2005090512-A1 NEW MATERIALS FOR INJECTING OR TRANSPORTING HOLES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME LG CHEM, LTD. (KR) 2005-09-29 WO disclosed
EP-1554360-A2 ORGANIC ELECTROLUMINESCENT COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-20 EP disclosed
WO-2004099338-A2 ORGANIC ELECTROLUMINESCENT COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-18 WO disclosed
US-20040062947-A1 Organic electroluminescent compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed
US-20040049080-A1 Novel triphenylamines and use thereof SHIROTA, YASUHIKO (JP) 2004-03-11 US disclosed
EP-1300390-A1 NOVEL TRIPHENYLAMINES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-09 EP disclosed
US-5958637-A CHARGE GENERATING LAYER CONTAINING PHTHALOCYANINE COMPOSITION AND CHARGE TRANSPORT MATERIAL COMPRISING A BENZIDINE DERIVATIVE HITACHI CHEMICAL COMPANY, LTD. (JP) 1999-09-28 US disclosed
EP-0821279-A1 Electrophotographic photoreceptor and coating solution for production of charge transport layer HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-01-28 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 (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-20040049080-A1 Novel triphenylamines and use thereof NAT1, TPR, PNMT CYP3A4 599/4885ALDH1A1 1300/4885HSD17B10 3571/4885
US-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs OCIAD2, OCIAD1, SLCO4C1 CYP3A4 2923/4885ALDH1A1 1449/4885HSD17B10 2201/4885
US-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same SLCO4C1, SLC18A3, SLCO2A1 CYP3A4 697/4885ALDH1A1 757/4885HSD17B10 1766/4885

“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.