SCHEMBL598181

SCHEMBL598181

CC(C)c1cccc2cccc-2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.66
RXRB P28702 1/20 0.66
RXRG P48443 1/20 0.66
PTPN5 P54829 4/20 0.54
HDAC4 P56524 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MDM4 O15151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TYR P14679 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CA5A P35218 1/20 0.48
HTT P42858 1/20 0.48

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
Ethane SCHEMBL6908245 0.97 RXRA (0.63) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5352034 0.97 RXRA (0.62) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL611807 0.95 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL29681626 0.95 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL14188565 0.93 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5355878 0.93 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL29727265 0.93 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL8676319 0.90 RXRA (0.56) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL13533360 0.87 RXRA (0.59) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL22888510 0.87 RXRA (0.59) RXRARXRBRXRGPTPN5HDAC4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9077694-A None JP disclosed
CN-110041246-A The synthesis and application of novel Kessazulen sesquiterpene alkaloids 中国海洋大学 2019-07-23 CN 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-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
JP-H0977694-A NEW PRODUCTION OF GUAIAZULENE OR ITS DERIVATIVE TAKASAGO INTERNATL CORP 1997-03-25 JP disclosed
US-4912134-A Methyl ester substitution AJINOMOTO COMPANY, INC. (JP) 1990-03-27 US disclosed
US-4859701-A Azulene derivatives and pharmaceutical compositions containing them AJINOMOTO CO., INC. (JP) 1989-08-22 US disclosed
EP-0266956-A2 Azulene derivatives and pharmaceutical compositions containing them AJINOMOTO CO., INC. (JP) 1988-05-11 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 (5 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 RXRA 3754/4885RXRB 3661/4885RXRG 3571/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP RXRA 4461/4885RXRB 4393/4885RXRG 4336/4885
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 RXRA 1748/4885RXRB 1804/4885RXRG 2192/4885
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 RXRA 3672/4885RXRB 4331/4885RXRG 4424/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B RXRA 3747/4885RXRB 3661/4885RXRG 3566/4885

“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.