SCHEMBL3054003

SCHEMBL3054003

CC1(C)CCc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.57
HTR2A P28223 8/20 0.57
HTR2C P28335 8/20 0.57
HTR2B P41595 8/20 0.57
CES1 P23141 1/20 0.48
DRD2 P14416 8/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
GRM5 P41594 1/20 0.43
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41

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
SCHEMBL29447988 1.00 SIGMAR1 (0.57) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL31298536 0.87 HTR2A (0.47) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL14358027 0.82 SIGMAR1 (0.56) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL6448738 0.81 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL8000122 0.81 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL11242114 0.79 SIGMAR1 (0.53) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL29661169 0.79 NPSR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL1745254 0.79 NPSR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL5608198 0.78 SIGMAR1 (0.51) SIGMAR1HTR2AHTR2CHTR2BCES1
SCHEMBL18494326 0.78 SIGMAR1 (0.74) SIGMAR1HTR2AHTR2CHTR2BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563167-A Preparation method of 2-methyl-1-tetralone 南通华祥医药科技有限公司 2021-10-29 CN claimed
CN-105198722-A Method for asymmetrically catalyzing and synthesizing (R)-4, 7-dimethyl-1-tetralone UNIV CHINA AGRICULTURAL 2015-12-30 CN claimed
US-8969249-B2 Synthesis and biological activity of bicyclic ABA analogs NATIONAL RESEARCH COUNCIL OF CANADA 2015-03-03 US claimed
US-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-21 US claimed
WO-2005108345-A1 SYNTHESIS AND BIOLOGICAL ACTIVITY OR NOVEL BICYCLIC ABA ANALOGS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-11-17 WO claimed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
EP-3328835-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2022-10-12 EP disclosed
CN-115003662-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-09-02 CN disclosed
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2022-07-26 US disclosed
CN-114262250-A Synthetic method of aromatic ring benzyl ortho-position dialkyl 乐威医药(江苏)股份有限公司 2022-04-01 CN disclosed
CN-113862034-A Method for synthesizing high-density aviation kerosene from biomass diene and p-benzoquinone in one pot 中国科学院大连化学物理研究所 2021-12-31 CN disclosed
CN-1162918-A Depressant of functions developed by molecule KOYAMA SHOZO (JP) 1997-10-22 CN disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 EP disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
US-5493012-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-02-20 US disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
CN-1068814-A Tetracyclic antibiotic and manufacture method thereof HOECHST AG (DE) 1993-02-10 CN disclosed
CN-1058208-A PHARMACEUTICAL COMPOUNDS WELLCOME FOUND (GB) 1992-01-29 CN 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-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides FASN, HACL2, ACSL1 SIGMAR1 4301/4885HTR2A 4445/4885HTR2C 3758/4885
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885

“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.