SCHEMBL597709

SCHEMBL597709

Cc1ccc2c(C)c(C)ccc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2A6 P11509 2/20 0.52
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
MCL1 Q07820 1/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL599103 0.83 CYP1A2 (0.68) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL598952 0.81 CYP1A2 (0.65) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL5494672 0.79 TSHR (0.45) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL37955 0.79 TSHR (0.45) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL10626178 0.79 TSHR (0.46) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL18892552 0.79 CYP1A2 (0.38) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL20356137 0.79 CYP1A2 (0.38) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL31747510 0.77 TSHR (0.78) TSHRCYP1A2CYP2A6PAX8HPGD
SCHEMBL21127529 0.77 CYP2A6 (0.43) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL458566 0.77 TSHR (0.78) TSHRCYP1A2CYP2A6PAX8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5117202-A None JP 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
CN-102066306-A Process for producing aromatic polycarboxylic acid DAICEL CHEM 2011-05-18 CN disclosed
US-20110071314-A1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-24 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-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
JP-H05117202-A PRODUCTION OF 1,2,5,6-NAPHTHALENETETRACARBOXYLIC ACID COSMO SOGO KENKYUSHO:KK 1993-05-14 JP disclosed
US-4599445-A Process for benzophenone tetracarboxylic acid THE DOW CHEMICAL COMPANY (US) 1986-07-08 US disclosed
US-4562271-A Preparation of 3-alkanoyloxyphthalides THE UPJOHN COMPANY (US) 1985-12-31 US disclosed
US-4485247-A 3-Alkanoyloxyphthalides THE UPJOHN COMPANY (US) 1984-11-27 US disclosed
EP-0125342-A1 Process for preparation of aromatic polycarboxylic acids and intermediates therefor THE UPJOHN COMPANY (US) 1984-11-21 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 TSHR 4176/4885CYP1A2 1240/4885CYP2A6 1327/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP TSHR 4434/4885CYP1A2 1415/4885CYP2A6 1388/4885
US-20110071314-A1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID DDC, SCO2, OAT TSHR 3031/4885CYP1A2 360/4885CYP2A6 2697/4885
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 TSHR 4374/4885CYP1A2 810/4885CYP2A6 1101/4885
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 TSHR 3766/4885CYP1A2 592/4885CYP2A6 1024/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TSHR 4165/4885CYP1A2 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.