SCHEMBL597308

SCHEMBL597308

Cc1cccc2ccc3ccc4ccccc4c3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
CYP2A6 P11509 5/20 0.62
CYP1A2 P05177 9/20 0.58
HSD17B10 Q99714 8/20 0.58
HPGD P15428 6/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 6/20 0.56
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HIF1A Q16665 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
RAB9A P51151 1/20 0.52
CASP7 P55210 1/20 0.52
ATM Q13315 1/20 0.52
MAOA P21397 2/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
ACHE P22303 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
SCHEMBL27878512 0.93 ALDH1A1 (0.65) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL550683 0.93 ALDH1A1 (0.65) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL4647758 0.85 CYP1A2 (0.59) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL598916 0.83 ALDH1A1 (0.60) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL29487823 0.83 HSD17B10 (0.72) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL535472 0.83 HSD17B10 (0.72) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL29613365 0.83 HSD17B10 (0.72) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL18896118 0.81 ALDH1A1 (0.67) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL31137917 0.80 CYP1A2 (0.70) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL18556238 0.80 ALDH1A1 (0.59) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD

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 11 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
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
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
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-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 ALDH1A1 2325/4885CYP2A6 1327/4885CYP1A2 1240/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP ALDH1A1 2300/4885CYP2A6 1388/4885CYP1A2 1415/4885
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 ALDH1A1 645/4885CYP2A6 1101/4885CYP1A2 810/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP ALDH1A1 2002/4885CYP2A6 1193/4885CYP1A2 1161/4885
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 ALDH1A1 14/4885CYP2A6 1024/4885CYP1A2 592/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ALDH1A1 2341/4885CYP2A6 1296/4885CYP1A2 1174/4885

“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.