SCHEMBL599041

SCHEMBL599041

Cc1cc(C)c2c(C)cc(C)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
CYP1A2 P05177 4/20 0.46
CYP2A6 P11509 4/20 0.46
RAPGEF4 Q8WZA2 3/20 0.43
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL4884877 0.81 CYP1A2 (0.50) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL598921 0.79 CYP1A2 (0.52) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL13021177 0.75 KDM4E (0.41) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL16219536 0.75 KDM4E (0.41) KDM4ECYP1A2CYP2A6RAPGEF4
SCHEMBL10411561 0.73 ALDH1A1 (0.42) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL11219829 0.73 RAPGEF4 (0.43) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL1760730 0.69 CYP1A2 (0.59) KDM4ECYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL21836746 0.69 CYP1A2 (0.54) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL5676514 0.69 SELL (0.55) KDM4ECYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL28951 0.67 RAPGEF4 (0.59) KDM4ECYP1A2CYP2A6RAPGEF4ALDH1A1

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 20 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-0152083-B1 PROCESS FOR PRODUCING POWDER OF MICROCAPSULES KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4601863-A Process for producing powder of microcapsules KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-07-22 US disclosed
EP-0152083-A2 Process for producing powder of microcapsules KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-08-21 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 KDM4E 948/4885CYP1A2 1240/4885CYP2A6 1327/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP KDM4E 836/4885CYP1A2 1415/4885CYP2A6 1388/4885
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 KDM4E 1678/4885CYP1A2 810/4885CYP2A6 1101/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP KDM4E 1112/4885CYP1A2 1161/4885CYP2A6 1193/4885
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 KDM4E 1415/4885CYP1A2 592/4885CYP2A6 1024/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B KDM4E 949/4885CYP1A2 1174/4885CYP2A6 1296/4885

“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.