SCHEMBL598673

SCHEMBL598673

Cc1cc2cccc3ccc4c5ccccc5cc1c4c32

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.67
FYN P06241 2/20 0.67
ACHE P22303 2/20 0.67
AHR P35869 2/20 0.67
ERBB2 P04626 1/20 0.67
MAOA P21397 1/20 0.67
ALDH1A1 P00352 9/20 0.50
HSD17B10 Q99714 7/20 0.50
HPGD P15428 7/20 0.50
TSHR P16473 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.47
LCK P06239 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
SLC6A2 P23975 1/20 0.47
HIF1A Q16665 3/20 0.47
CYP1B1 Q16678 3/20 0.47
THRB P10828 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
SCHEMBL598810 0.84 CYP1A2 (0.69) CYP1A2FYNACHEAHRERBB2
SCHEMBL4854001 0.83 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2
SCHEMBL4851768 0.83 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2
SCHEMBL4852478 0.83 CYP1A2 (0.96) CYP1A2FYNACHEAHRERBB2
SCHEMBL4853221 0.81 CYP1A2 (0.78) CYP1A2FYNACHEAHRERBB2
SCHEMBL4856361 0.81 CYP1A2 (0.70) CYP1A2FYNACHEAHRERBB2
SCHEMBL6569477 0.81 ALDH1A1 (0.76) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL23414475 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL24019 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2
Benzo[Def]Chrysene SCHEMBL17114373 0.81 CYP1A2 (1.00) CYP1A2FYNACHEAHRERBB2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210367154-A1 POLYCYCLIC AROMATIC HYDROCARBON-BASED COMPOUNDS FOR MOLECULAR ELECTRONIC DEVICE AND MOLECULAR ELECTRONIC DEVICES COMPRISING SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2021-11-25 US disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 US disclosed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 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 (7 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B CYP1A2 1240/4885FYN 2533/4885ACHE 4224/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885FYN 2236/4885ACHE 4041/4885
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA CYP1A2 810/4885FYN 3622/4885ACHE 3735/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885FYN 2425/4885ACHE 3526/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS CYP1A2 592/4885FYN 2555/4885ACHE 1222/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885FYN 2490/4885ACHE 4159/4885
US-20210367154-A1 POLYCYCLIC AROMATIC HYDROCARBON-BASED COMPOUNDS FOR MOLECULAR ELECTRONIC DEVICE AND MOLECULAR ELECTRONIC DEVICES COMPRISING SAME AHR, TRPA1, PAH CYP1A2 665/4885FYN 4582/4885ACHE 2946/4885

“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.