SCHEMBL3305232

SCHEMBL3305232

CCOCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL28154689 0.92 TSHR (0.36) TSHRMAPK1SMN1; SMN2GAAMEN1
SCHEMBL347618 0.85 USP2 (0.44) TSHRSMN1; SMN2GAAMEN1KMT2A
SCHEMBL3304899 0.82 ALDH1A1 (0.43) TSHRMAPK1SMN1; SMN2GAAALDH1A1
SCHEMBL4906908 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL347311 0.80 USP2 (0.41) TSHRSMN1; SMN2GAAMEN1KMT2A
SCHEMBL3305208 0.79 ALDH1A1 (0.53) TSHRMAPK1SMN1; SMN2MEN1KMT2A
Hydrogen Sulfide SCHEMBL17888866 0.78 USP2 (0.39) TSHRSMN1; SMN2GAAMEN1KMT2A
SCHEMBL474810 0.77 ALDH1A1 (0.51) TSHRMAPK1SMN1; SMN2GAAALDH1A1
SCHEMBL21148004 0.77 SMN1; SMN2 (0.38) TSHRMAPK1SMN1; SMN2GAAALDH1A1
SCHEMBL48583 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639686-B Cleaning fluid composition and a cleaning method for a panel using the same DONGWOO FINE CHEM CO LTD 2014-09-03 CN claimed
CN-102639686-A Cleaning fluid composition and a cleaning method for a panel using the same DONGWOO FINE CHEM CO LTD 2012-08-15 CN claimed
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US claimed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP claimed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US claimed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 WO claimed
EP-2958181-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-06-14 EP disclosed
US-9653754-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-16 US disclosed
US-9620814-B2 2017-04-11 US disclosed
US-9515348-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-06 US disclosed
US-9231277-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
EP-2958181-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2015-12-23 EP disclosed
EP-2535976-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND SECONDARY BATTERY COMPRISING THE SAME MITSUBISHI CHEM CORP (JP) 2015-09-02 EP disclosed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 WO disclosed
EP-1169269-A1 EXTRACTION OF METAL SALTS FROM AQUEOUS SOLUTIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2002-01-09 EP disclosed
WO-2000058225-A1 EXTRACTION OF METAL SALTS FROM AQUEOUS SOLUTIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2000-10-05 WO disclosed
EP-0154669-A1 Catalyst for urethane foam blown with carboxylic acids ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed
EP-0144573-A2 Catalyst system for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-06-19 EP disclosed
US-4500654-A N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1985-02-19 US disclosed
US-4473666-A A DIALKYLCYCLOHEXYLAMINE AND AN N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1984-09-25 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 (2 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-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators ESR2, GPER1, ESR1 TSHR 393/4885MAPK1 3182/4885SMN1; SMN2 4610/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 TSHR 393/4885MAPK1 3182/4885SMN1; SMN2 4610/4885

“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.