SCHEMBL18101

SCHEMBL18101

CCC1(COS(=O)(=O)c2ccc(C)cc2)COC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
VDR P11473 1/20 0.35
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL10950116 0.94 STAT3 (0.36) STAT3ALDH1A1CA12CA1CA9
SCHEMBL690833 0.92 STAT3 (0.40) STAT3ALDH1A1CA12CA1CA9
SCHEMBL10015860 0.87 ALDH1A1 (0.37) STAT3ALDH1A1CA12CA1CA9
SCHEMBL24194808 0.87 STAT3 (0.39) STAT3ALDH1A1CA12CA1CA9
SCHEMBL16572522 0.87 STAT3 (0.36) STAT3ALDH1A1CA12CA1CA9
SCHEMBL8598041 0.85 CYP3A4 (0.46) STAT3ALDH1A1CA12CA1CA9
SCHEMBL16835 0.83 KMT2A (0.44) STAT3ALDH1A1CA12CA1CA9
SCHEMBL18218 0.83 KMT2A (0.47) STAT3ALDH1A1CA12CA1CA9
SCHEMBL2578056 0.83 PDE9A (0.36) STAT3ALDH1A1CA12CA1CA9
SCHEMBL15970201 0.83 GLA (0.39) STAT3ALDH1A1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265359-B Side chain type water-soluble polyquaternary ammonium salt and preparation method thereof 大连百傲化学股份有限公司 2021-09-03 CN claimed
JP-11228558-A None JP disclosed
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2024-05-02 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-12-29 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2022-11-01 US disclosed
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
US-11111225-B2 Calixarene compound and curable composition DIC CORPORATION (JP) 2021-09-07 US disclosed
US-7407691-B2 Photopolymerizable oxetane derivative and liquid-crystal composition containing it CHISSO CORPORATION (JP) 2008-08-05 US disclosed
US-7393569-B2 Hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyl acrylates); hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyloxetanes; stabilizes polymerizable liquid crystal compositions for a long time and controls the alignment of liquid crystal molecules CHISSO CORPORATION (JP) 2008-07-01 US disclosed
US-7319132-B2 Polymer compounds containing oxetane and maleimide functionality NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-01-15 US disclosed
US-7319132-B2 Polymer compounds containing oxetane and maleimide functionality NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-01-15 US disclosed
US-20070122565-A1 1-15% 1,1'-Binaphthyl-2,2'-diol diesterified with 3-alkyl-3-oxetanylmethoxyaryl-carboxylic acid, -propionic acid or -acrylic acid; 5-45% arylenediol diesterified with p-(3-alkyl-3-oxetanylmethoxyalkoxy)benzoic acid; and 45-80% p-(epoxyalkoxy)phenyl p-(epoxyalkoxy)benzoate; optical anisotropy JNC PETROCHEMICAL CORPORATION (JP) 2007-05-31 US disclosed
US-20060278851-A1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION 2006-12-14 US disclosed
US-20060252911-A1 adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition TOKYUYAMA CORPORATION (JP) 2006-11-09 US disclosed
EP-1637526-A1 CURABLE POLYCYCLIC COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF TOKUYAMA CORPORATION (JP) 2006-03-22 EP disclosed
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it JNC PETROCHEMICAL CORPORATION (JP) 2005-10-13 US disclosed
JP-H11228558-A CALIXARENE DERIVATIVE CONTAINING OXETANE GROUP AND PRODUCTION THEREOF UBE IND LTD 1999-08-24 JP 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 (10 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-20060278851-A1 Polymerizable liquid crystal composition and polymer thereof NCAPD2, LANCL2, TAF1 STAT3 4400/4885ALDH1A1 2478/4885CA12 1117/4885
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 STAT3 860/4885ALDH1A1 1359/4885CA12 3410/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 STAT3 860/4885ALDH1A1 1359/4885CA12 3410/4885
US-11111225-B2 Calixarene compound and curable composition CALU, CALCRL, CAPN1 STAT3 4330/4885ALDH1A1 1469/4885CA12 719/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR STAT3 275/4885ALDH1A1 1448/4885CA12 2304/4885
US-20060252911-A1 adamantyl diglycidyl ether or 1-adamantanol epichlorohydrin adduct curable to polyepoxides; encapsulant for light-emitting diode; superior optical properties, heat resistance, photostability, and shrinkage inhibition PFN1, FSCN1, PFDN1 STAT3 4730/4885ALDH1A1 50/4885CA12 3793/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 STAT3 38/4885ALDH1A1 2379/4885CA12 132/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 STAT3 908/4885ALDH1A1 1367/4885CA12 3381/4885
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it TAC3, CPNE4, CNPY3 STAT3 3412/4885ALDH1A1 2259/4885CA12 933/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 STAT3 860/4885ALDH1A1 1359/4885CA12 3410/4885

“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.