SCHEMBL598262

SCHEMBL598262

Cc1cc(C)c2cccc(C)c2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.65
CYP2A6 P11509 4/20 0.65
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
ACHE P22303 2/20 0.39
ABCB1 P08183 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
PSMB5 P28074 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL29595379 1.00 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL598737 0.91 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL598688 0.82 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL28046445 0.81 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL424167 0.81 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29463284 0.81 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL28942909 0.79 HTT (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10ACHE
SCHEMBL5083260 0.79 CYP1A2 (0.48) CYP1A2CYP2A6HPGDHSD17B10RAPGEF4
SCHEMBL9638708 0.79 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL30365067 0.79 CYP1A2 (0.48) CYP1A2CYP2A6HPGDHSD17B10RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114433214-B Composite carrier and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
CN-114433214-A Composite carrier and preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN disclosed
US-9739125-B2 Method for upgrading in situ heavy oil CHEVRON U.S.A. INC. (US) 2017-08-22 US disclosed
US-20160177691-A1 METHOD FOR UPGRADING IN SITU HEAVY OIL CHEVRON U.S.A. INC. 2016-06-23 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-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
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5030784-A Process for converting lower-alkyl substituted aromatic compounds and butadiene to 4-aryl-1-butene or 4-aryl-1-pentene and propylene SHELL OIL COMPANY (US) 1991-07-09 US disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed
US-RE29459-E CATALYTIC ISOMERIZATION CHEVRON RESEARCH COMPANY (US) 1977-10-25 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 (3 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 1327/4885ALDH1A1 2325/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885ALDH1A1 2300/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885ALDH1A1 2341/4885

“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.