SCHEMBL599157

SCHEMBL599157

CCc1cccc2c(C)cccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2A6 P11509 2/20 0.62
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AHR P35869 1/20 0.39
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL3238496 0.87 GABRA1 (0.57) CYP1A2GABRA1GABRB2ALDH1A1DAO
SCHEMBL7754391 0.86 CYP1A2 (0.62) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1
SCHEMBL7828579 0.84 CYP1A2 (0.59) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1
SCHEMBL16775293 0.83 BRD4 (0.44) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1
SCHEMBL10900222 0.79 CYP1A2 (0.59) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1
SCHEMBL15345377 0.79 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1SMN1; SMN2TAAR1
SCHEMBL14496815 0.79 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TSHRSMN1; SMN2
SCHEMBL29463284 0.79 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRAHR
SCHEMBL424167 0.79 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRAHR
SCHEMBL24110399 0.79 CYP1A2 (0.46) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 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
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-4740647-A COPPER ALUMINUM BORATE TO CATALYZE DEHYDROCYCLIZATION OF ALKENYL AROMATIC COMPOUND AMOCO CORPORATION (US) 1988-04-26 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 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 (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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B CYP1A2 1240/4885CYP2A6 1327/4885GABRA1 4342/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885GABRA1 4299/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885CYP2A6 1193/4885GABRA1 4586/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885GABRA1 4303/4885

“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.