SCHEMBL598696

SCHEMBL598696

CCc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.69
CYP2A6 P11509 2/20 0.69
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1B1 Q16678 2/20 0.54
HIF1A Q16665 1/20 0.54
HPRT1 P00492 3/20 0.52
KIF11 P52732 1/20 0.52
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKR1B1 P15121 1/20 0.49
HPGD P15428 2/20 0.47
CYP1A1 P04798 1/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.45
HTR6 P50406 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7773085 0.98 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL9040952 0.89 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL9765522 0.89 AKR1B1 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL599171 0.84 ALDH1A1 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL31534025 0.82 CYP2A6 (1.00) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL73386 0.82 CYP2A6 (1.00) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL1898791 0.82 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL5746279 0.81 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1KIF11TSHR
SCHEMBL22288362 0.81 CYP1A2 (0.51) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL30688302 0.81 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPRT1KIF11

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-9394221-B2 Method for manufacturing benzenetetracarboxylic acid JX NIPPON OIL & ENERGY COMPANY (JP) 2016-07-19 US disclosed
US-20140018569-A1 METHOD FOR MANUFACTURING BENZENETETRACARBOXYLIC ACID JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-01-16 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 1240/4885CYP2A6 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-20140018569-A1 METHOD FOR MANUFACTURING BENZENETETRACARBOXYLIC ACID HAAO, HAO2, HPD CYP1A2 190/4885CYP2A6 67/4885ALDH1A1 1100/4885
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.