SCHEMBL597339

SCHEMBL597339

CCCc1cc(C)c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.37
HMGCR P04035 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TSHR P16473 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32

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
SCHEMBL30369685 1.00 NPSR1 (0.44) NPSR1ALDH1A1HMGCRPGK1PGK2
SCHEMBL3199545 0.85 NPSR1 (0.50) NPSR1ALDH1A1PGK1PGK2TSHR
SCHEMBL29737291 0.85 NPSR1 (0.50) NPSR1ALDH1A1PGK1PGK2TSHR
SCHEMBL25106857 0.80 TAAR1 (0.38) NPSR1ALDH1A1HMGCRPGK1PGK2
SCHEMBL18924281 0.80 HMGCR (0.53) NPSR1ALDH1A1HMGCRTSHRCYP3A4
SCHEMBL14139877 0.80 NPSR1 (0.46) NPSR1ALDH1A1HMGCRCYP3A4MAPK1
SCHEMBL14962818 0.80 ALDH1A1 (0.64) NPSR1ALDH1A1TSHRTAAR1CYP3A4
SCHEMBL18928265 0.80 NPSR1 (0.39) NPSR1ALDH1A1HMGCRMAOA
SCHEMBL21386521 0.80 NPSR1 (0.39) NPSR1ALDH1A1HMGCRTAAR1MAOA
SCHEMBL15701362 0.77 TSHR (0.37) NPSR1ALDH1A1HMGCRTSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084109-A GAS PHASE OXIDATION AND DEHYDRATION OF A 1,2,4,5-TETRAALKYL-BENZENE UNDER NORMAL PRESSURE AND HEATING USING A DURABLE, THERMOCONDUCTIVE CATALYST SYSTEM OF A CATALYST SUPPORT OF TUNGSTEN AND/OR SILICON CARBIDE CHINESE PETROLEUM CORP. (TW) 2000-07-04 US claimed
CN-115925716-A Preparation method of pyromellitic dianhydride 中国石油化工股份有限公司 2023-04-07 CN disclosed
CN-113583016-A Method for improving purity of crude pyromellitic dianhydride, device and application thereof 潍坊弘润新材料有限公司 2021-11-02 CN disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP 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-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
US-6084109-A GAS PHASE OXIDATION AND DEHYDRATION OF A 1,2,4,5-TETRAALKYL-BENZENE UNDER NORMAL PRESSURE AND HEATING USING A DURABLE, THERMOCONDUCTIVE CATALYST SYSTEM OF A CATALYST SUPPORT OF TUNGSTEN AND/OR SILICON CARBIDE CHINESE PETROLEUM CORP. (TW) 2000-07-04 US 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 NPSR1 2933/4885ALDH1A1 2325/4885HMGCR 1498/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP NPSR1 2977/4885ALDH1A1 2300/4885HMGCR 1397/4885
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 NPSR1 3681/4885ALDH1A1 645/4885HMGCR 97/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP NPSR1 3323/4885ALDH1A1 2002/4885HMGCR 790/4885
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 NPSR1 3753/4885ALDH1A1 14/4885HMGCR 2197/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B NPSR1 2900/4885ALDH1A1 2341/4885HMGCR 1518/4885

“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.