SCHEMBL599080

SCHEMBL599080

Cc1ccc2c(c1)cc(C)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.54
CYP2A6 P11509 7/20 0.54
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NQO2 P16083 1/20 0.43
HPRT1 P00492 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL9038677 0.85 CYP1A2 (0.57) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL30661085 0.84 CYP2A6 (0.52) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL599403 0.84 CYP2A6 (0.52) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL7089537 0.83 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL8562301 0.83 CYP1A2 (0.54) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL599191 0.81 CYP1A2 (0.62) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL597878 0.81 CYP1A2 (0.73) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL598782 0.80 HPRT1 (0.64) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL28996719 0.80 HPRT1 (0.64) CYP1A2CYP2A6TDP1ALDH1A1LMNA
SCHEMBL19154163 0.79 CYP1A2 (0.45) CYP1A2CYP2A6TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108254341-A Double quantum dot fluorescent two-dimensional probe malathion and ethion identification quantitative detection method and device 安徽大学 2018-07-06 CN claimed
CN-104651814-A Chemical copper plating solution and chemical copper plating method SUR PREC METAL TECHNOLOGY CO LTD 2015-05-27 CN claimed
CN-110143910-B Preparation method of polysubstituted pyrrolidone derivative 华侨大学 2022-04-05 CN disclosed
CN-110272357-A A kind of preparation method of alkenyl cyanides 中国科学院上海有机化学研究所 2019-09-24 CN disclosed
CN-109651202-A Utilize the method for dimethyl sulfoxide ylide, amine and carbon dioxide synthesis of carbamates 华南理工大学 2019-04-19 CN disclosed
CN-109400464-A The preparation method of 5- acetyl bromide propionic acid 湖北大学 2019-03-01 CN disclosed
CN-104651814-A Chemical copper plating solution and chemical copper plating method SUR PREC METAL TECHNOLOGY CO LTD 2015-05-27 CN disclosed
US-8957223-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-07-18 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
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
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 (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-20130184328-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG CYP1A2 3615/4885CYP2A6 3078/4885TDP1 3627/4885
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 810/4885CYP2A6 1101/4885TDP1 1215/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885CYP2A6 1193/4885TDP1 2045/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885TDP1 1794/4885

“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.