SCHEMBL598560

SCHEMBL598560

Cc1ccc2cc3c(ccc4cc(C)ccc43)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.62
CYP2A6 P11509 6/20 0.62
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PTPN1 P18031 1/20 0.38
NCK1 P16333 1/20 0.38
BACE1 P56817 1/20 0.38
NQO2 P16083 1/20 0.37
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36

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
SCHEMBL597705 0.89 CYP2A6 (0.64) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL598203 0.88 ALDH1A1 (0.59) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL598440 0.88 ALDH1A1 (0.59) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL1760695 0.87 ALDH1A1 (0.64) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL607927 0.87 CYP1A2 (0.71) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL1760792 0.87 ALDH1A1 (0.64) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL598308 0.85 CYP1A2 (0.60) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL597341 0.85 CYP1A2 (0.67) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL2463834 0.84 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL6056946 0.84 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10

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-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
EP-0939084-A1 An estrogen binding proteinaceous substance, its possible role in estrogen action, and potential use. Rao, Ramanath B. (NL) 1999-09-01 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 (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 CYP1A2 1240/4885CYP2A6 1327/4885TDP1 1800/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885TDP1 1753/4885
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 810/4885CYP2A6 1101/4885TDP1 1215/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885CYP2A6 1193/4885TDP1 2045/4885
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 592/4885CYP2A6 1024/4885TDP1 630/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885TDP1 1794/4885

“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.