SCHEMBL598586

SCHEMBL598586

CCCCCCCCCCCCCCCCCCC1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
SIGMAR1 Q99720 3/20 0.56
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LSS P48449 2/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL597640 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL599537 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL597636 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL597805 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL598502 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL598906 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL607721 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL598137 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL599105 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS
SCHEMBL598387 1.00 CYP1A2 (0.76) CYP1A2SIGMAR1EPHX1ALDH1A1LSS

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
US-9078946-B2 Methods of surface treating porous particles 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-07-14 US disclosed
WO-2012142024-A1 POROUS PARTICLES WITH MASKING POWDER AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-10-18 WO disclosed
US-20120258853-A1 POROUS PARTICLES WITH MASKING POWDER AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTY COMPANY 2012-10-11 US disclosed
EP-2504095-A2 METHODS OF SURFACE TREATING POROUS PARTICLES 3M Innovative Properties Company (US) 2012-10-03 EP disclosed
US-20120219728-A1 METHODS OF SURFACE TREATING POROUS PARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2012-08-30 US disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
CN-1965171-B retainer for rolling bearing and rolling bearing NTN CO LTD 2012-05-16 CN disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
WO-2011063370-A2 TREATED POROUS PARTICLES AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-26 WO disclosed
WO-2011063392-A2 METHODS OF SURFACE TREATING POROUS PARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-26 WO disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
CN-1965171-A Retainer for rolling bearing and rolling bearing NTN TOYO BEARING CO LTD (JP) 2007-05-16 CN 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-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
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
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 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 (4 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 1240/4885SIGMAR1 2761/4885EPHX1 1843/4885
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 810/4885SIGMAR1 3971/4885EPHX1 272/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885SIGMAR1 3639/4885EPHX1 1541/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885SIGMAR1 2820/4885EPHX1 1822/4885

“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.