SCHEMBL12038679

SCHEMBL12038679

CC(C)(C)C1=CCC(=O)C=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CES1 P23141 1/20 0.35
MPI P34949 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2476120 0.86 GSK3A (0.33) GSK3AGSK3B
SCHEMBL8433146 0.86 GSK3A (0.33) GSK3AGSK3B
SCHEMBL2772030 0.79
SCHEMBL10589108 0.77
SCHEMBL10589783 0.76
SCHEMBL11721418 0.73
SCHEMBL9230111 0.73 GSK3A (0.31) GSK3AGSK3B
SCHEMBL17501930 0.73
SCHEMBL9842155 0.72 ESR2 (0.43) ALDH1A1PKMHPGDNPSR1
SCHEMBL9262395 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854601-A Novel method for preparing 4-diaryl methyl substituted aniline compound by mediation of hexafluoroisopropanol 湖南理工学院 2023-10-10 CN claimed
CN-116715591-A Novel method for preparing 2-diaryl methyl substituted aniline compound by mediation of hexafluoroisopropanol 湖南理工学院 2023-09-08 CN claimed
CN-116693404-A Novel method for preparing 4-diaryl methyl substituted tertiary aromatic amine compound by mediation of hexafluoroisopropanol 湖南理工学院 2023-09-05 CN claimed
CN-115368218-B Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2024-01-02 CN disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230271966-A1 PRPK INHIBITORS DANA FARBER CANCER INST INC (US) 2023-08-31 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2013-07-11 US disclosed
US-8470980-B2 Extracellular targeted drug conjugates CENTROSE, LLC (US) 2013-06-25 US disclosed
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-21 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
US-8361973-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2013-01-29 US disclosed
US-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2011-12-29 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC (US) 2011-03-17 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 (13 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-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 CES2 243/4885ALDH1A1 1232/4885MAPT 1818/4885
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 CES2 4078/4885ALDH1A1 162/4885MAPT 4722/4885
US-20230271966-A1 PRPK INHIBITORS PRP4K, PRPS1, PRPF6 CES2 4019/4885ALDH1A1 1333/4885MAPT 1600/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CES2 2982/4885ALDH1A1 208/4885MAPT 4740/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR CES2 4884/4885ALDH1A1 4698/4885MAPT 3750/4885
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2242/4885ALDH1A1 1514/4885MAPT 214/4885
US-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA CES2 2395/4885ALDH1A1 1948/4885MAPT 3783/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 CES2 381/4885ALDH1A1 114/4885MAPT 3176/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 CES2 4826/4885ALDH1A1 1303/4885MAPT 1976/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR CES2 4884/4885ALDH1A1 4698/4885MAPT 3750/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA CES2 3670/4885ALDH1A1 1955/4885MAPT 3924/4885
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA CES2 2395/4885ALDH1A1 1948/4885MAPT 3783/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 CES2 3599/4885ALDH1A1 471/4885MAPT 4023/4885

“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.