SCHEMBL601246

SCHEMBL601246

Cc1cc2c(C)ccc(C)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 7/20 0.45
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.35
MAPK1 P28482 1/20 0.35
NQO2 P16083 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL30674801 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL31001023 0.88 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL15412761 0.83 CYP1A2 (0.45) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL1134728 0.79 TSHR (0.41) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL3731211 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL26437113 0.78 CYP1A2 (0.55) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7708643 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL10692403 0.76 TDP1 (0.50) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL26431811 0.76 TSHR (0.46) CYP1A2ALDH1A1CYP2A6TDP1TSHR
SCHEMBL8889111 0.74 CYP1A2 (0.43) CYP1A2ALDH1A1CYP2A6TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905302-B2 Prelithiation and method of manufacturing prelithiated anode using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2024-02-20 US disclosed
CN-117233296-A Method for non-targeted identification of trace organic pollutants in blood based on GC-QTOF-HRMS and application thereof 广东工业大学 2023-12-15 CN disclosed
US-20210347787-A1 PRELITHIATION SOLUTION AND METHOD OF MANUFACTURING PRELITHIATED ANODE USING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-11-11 US disclosed
US-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES MARTINEAU LOUIS C (CA) 2014-05-15 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
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 (9 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 1240/4885ALDH1A1 2325/4885CYP2A6 1327/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885ALDH1A1 2300/4885CYP2A6 1388/4885
US-11905302-B2 Prelithiation and method of manufacturing prelithiated anode using the same MT-ND6, NOX4, NDUFS6 CYP1A2 2636/4885ALDH1A1 1605/4885CYP2A6 1751/4885
US-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES UQCRC2, UQCRC1, TIMM50 CYP1A2 1651/4885ALDH1A1 3040/4885CYP2A6 825/4885
US-20210347787-A1 PRELITHIATION SOLUTION AND METHOD OF MANUFACTURING PRELITHIATED ANODE USING THE SAME THEM6, MT-ND6, NOX4 CYP1A2 2885/4885ALDH1A1 1605/4885CYP2A6 1492/4885
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 810/4885ALDH1A1 645/4885CYP2A6 1101/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885ALDH1A1 2002/4885CYP2A6 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 CYP1A2 592/4885ALDH1A1 14/4885CYP2A6 1024/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885ALDH1A1 2341/4885CYP2A6 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.