SCHEMBL598688

SCHEMBL598688

Cc1cc2c(C)cccc2c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.68
CYP2A6 P11509 4/20 0.68
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
CYP2C19 P33261 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KIF11 P52732 1/20 0.40
BACE1 P56817 1/20 0.39
ALOX15 P16050 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL598701 0.86 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
O-Xylene SCHEMBL7556612 0.83 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL599477 0.83 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL6705797 0.83 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL424167 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29463284 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL598262 0.82 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29595379 0.82 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL12344967 0.80 CYP1A2 (0.80) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL19154007 0.78 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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 14 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
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 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-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 CYP1A2 1240/4885CYP2A6 1327/4885ALDH1A1 2325/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885ALDH1A1 2300/4885
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 1101/4885ALDH1A1 645/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885CYP2A6 1193/4885ALDH1A1 2002/4885
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 1024/4885ALDH1A1 14/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885ALDH1A1 2341/4885

“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.