SCHEMBL599609

SCHEMBL599609

CCc1cc(C)c(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.41
PTGS2 P35354 2/20 0.39
TP53 P04637 1/20 0.36
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE2A O00408 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL26676087 0.82 PTGS2 (0.32) RAPGEF4PTGS2PTGS1PDE2A
SCHEMBL13384693 0.82 TRPA1 (0.48) PTGS2TRPA1ALOX5PTGS1ESR1
SCHEMBL11061127 0.82 SKP2 (0.39) RAPGEF4PTGS2ESR1ESR2NPC1
SCHEMBL13890590 0.82 PTGS2 (0.37) RAPGEF4PTGS2PDE2A
SCHEMBL20373487 0.82 HTR2A (0.34) RAPGEF4PTGS2PDE2AHTR2AHTR2C
SCHEMBL18495129 0.80 RAPGEF4 (0.41) RAPGEF4PTGS2TP53TRPA1ALOX5
SCHEMBL19360287 0.80 PTGS2 (0.36) RAPGEF4PTGS2
SCHEMBL18570653 0.79 PTGS2 (0.37) RAPGEF4PTGS2TP53TRPA1ALOX5
SCHEMBL29348023 0.78 HSPA5 (0.32) RAPGEF4PTGS2
SCHEMBL12560288 0.78 PTGS2 (0.59) PTGS2NPC1CYP1A2HTR2AHTR2C

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
CN-111675593-B C 9 Method for synthesizing sym-tetraalkylbenzene from mixed aromatic hydrocarbon 中海油天津化工研究设计院有限公司 2023-04-18 CN disclosed
CN-111675593-A C9Method for synthesizing sym-tetraalkylbenzene from mixed aromatic hydrocarbon 中海油天津化工研究设计院有限公司 2020-09-18 CN disclosed
CN-103947031-B Organic electrolyte and organic electrolyte secondary battery 吉坤日矿日石能源株式会社 2017-07-11 CN disclosed
CN-104025364-B Organic bath and organic bath accumulator 吉坤日矿日石能源株式会社 2017-03-08 CN disclosed
US-9145522-B2 Enhanced aromatics production by low pressure end point reduction and selective hydrogenation and hydrodealkylation UOP LLC (US) 2015-09-29 US disclosed
US-20130165719-A1 ENHANCED AROMATICS PRODUCTION BY LOW PRESSURE END POINT REDUCTION AND SELECTIVE HYDROGENATION AND HYDRODEALKYLATION UOP LLC (US) 2013-06-27 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-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-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES 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 (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-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP RAPGEF4 3610/4885PTGS2 4390/4885TP53 2548/4885
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 RAPGEF4 4064/4885PTGS2 4231/4885TP53 2394/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP RAPGEF4 4010/4885PTGS2 4385/4885TP53 2564/4885
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 RAPGEF4 3397/4885PTGS2 2785/4885TP53 3414/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B RAPGEF4 2746/4885PTGS2 4235/4885TP53 2565/4885

“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.