SCHEMBL598697

SCHEMBL598697

Cc1c2ccccc2c2ccc3cccc4ccc1c2c43

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.64
HPGD P15428 7/20 0.64
TSHR P16473 6/20 0.64
CYP3A4 P08684 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
MAPK1 P28482 2/20 0.64
CASP1 P29466 2/20 0.64
HIF1A Q16665 2/20 0.64
RAB9A P51151 1/20 0.64
CASP7 P55210 1/20 0.64
ATM Q13315 1/20 0.64
ALDH1A1 P00352 8/20 0.60
CYP1A2 P05177 5/20 0.60
THRB P10828 1/20 0.60
MAOA P21397 2/20 0.53
ERBB2 P04626 1/20 0.53
FYN P06241 1/20 0.53
ACHE P22303 1/20 0.53
AHR P35869 1/20 0.53
TDP1 Q9NUW8 2/20 0.52

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
Benzo[E]Pyrene SCHEMBL29136104 0.90 ALDH1A1 (0.64) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL5274050 0.87 HSD17B10 (0.57) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL9054767 0.82 CYP1A2 (0.63) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL11117624 0.82 HPGD (0.60) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL1982386 0.82 HSD17B10 (0.71) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL17332355 0.81 HPGD (0.52) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL28540810 0.80 HPGD (0.58) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL4853423 0.80 ALDH1A1 (0.76) HSD17B10HPGDTSHRCYP3A4L3MBTL1
SCHEMBL6664023 0.80 CYP1A2 (0.55) HSD17B10HPGDTSHRCYP3A4L3MBTL1
Benzo[E]Pyrene SCHEMBL28088020 0.79 ALDH1A1 (0.94) HSD17B10HPGDTSHRCYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9105848-B2 Composite organic materials and applications thereof WAKE FOREST UNIVERSITY (US) 2015-08-11 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-20110041895-A1 Composite Organic Materials And Applications Thereof WAKE FOREST UNIVERSITY 2011-02-24 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 (6 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 HSD17B10 1623/4885HPGD 2316/4885TSHR 4176/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP HSD17B10 1472/4885HPGD 2561/4885TSHR 4434/4885
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 HSD17B10 631/4885HPGD 1157/4885TSHR 4374/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP HSD17B10 1057/4885HPGD 2122/4885TSHR 4420/4885
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 HSD17B10 311/4885HPGD 609/4885TSHR 3766/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B HSD17B10 1562/4885HPGD 2347/4885TSHR 4165/4885

“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.