SCHEMBL3392545

SCHEMBL3392545

O=S(=O)(c1ccccc1)C1(CCCCCCCCCCO)CCCC2(C1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.46
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
POLB P06746 2/20 0.38
GAA P10253 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP1 P03956 1/20 0.32

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
SCHEMBL3387975 0.77 POLB (0.36) HTR7POLBGAAMCOLN3ALDH1A1
SCHEMBL3388921 0.76 HTR7 (0.35) HTR7POLBGAAMCOLN3ALDH1A1
SCHEMBL3392538 0.72 HTR7 (0.38) HTR7HTR1AHTR2APOLBGAA
SCHEMBL6095183 0.71 HTR7 (0.46) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL7919939 0.70 HTR7 (0.43) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6099295 0.70 HTR7 (0.62) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6097398 0.69 HTR7 (0.63) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL5604212 0.67 HTR7 (0.34) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL16897356 0.67 POLB (0.39) POLBGAAMCOLN3ALDH1A1TSHR
SCHEMBL7928278 0.65 HTR7 (0.36) HTR7HTR1AHTR2AGAAMCOLN3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1839653-B9 THERAPEUTIC AGENT FOR SENSORY DISORDERS MEIJI DAIRIES CORP (JP) 2010-12-22 EP disclosed
EP-2196200-A1 Cyclohexenone derivative for treating or preventing hypesthesia or hyperesthesia caused by diabetes Meiji Dairies Corporation (JP) 2010-06-16 EP disclosed
EP-1839653-B1 THERAPEUTIC AGENT FOR SENSORY DISORDERS MEIJI DAIRIES CORP (JP) 2010-06-09 EP disclosed
US-20090069442-A1 Therapeutic Agent for Sensory Abnormality MEIJI CO., LTD (JP) 2009-03-12 US disclosed
US-20080312336-A1 Preventive and/or Therapeutic Agent for Diabetic Vascular Disorder and Respiratory Disorder UNIVERSITE DE STRASBOURG (FR) 2008-12-18 US disclosed
EP-1839653-A1 THERAPEUTIC AGENT FOR SENSORY ABNORMALITY Meiji Dairies Corporation (JP) 2007-10-03 EP disclosed
US-7166642-B1 Use of cyclohexenone long-chain alcohol for treating neurodegenerative diseases MEIJI DAIRIES CORPORATION (JP) 2007-01-23 US disclosed
EP-1150667-B1 CYCLOHEXENONE LONG-CHAIN ALCOHOL FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS MEIJI DAIRIES CORP (JP) 2004-07-14 EP disclosed
EP-1003706-B1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PROD CO LTD (JP) 2003-03-05 EP disclosed
EP-1150667-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS Meiji Dairies Corporation (JP) 2001-11-07 EP disclosed
US-6228893-B1 TREATING DEMENTIA MEIJI MILK PRODUCTS CO., LTD. (JP) 2001-05-08 US disclosed
WO-2000047199-A1 USE OF A CYCLOHEXENONE LONG-CHAIN ALCOHOL FOR TREATING NEURODEGENERATIVE DISEASES MEIJI DAIRIES CORPORATION (JP) 2000-08-17 WO disclosed
EP-1003706-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 2000-05-31 EP disclosed
WO-1999008987-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PRODUCTS CO., LTD. (JP) 1999-02-25 WO 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-20080312336-A1 Preventive and/or Therapeutic Agent for Diabetic Vascular Disorder and Respiratory Disorder CPT1B, CHRM1, ADRA1D HTR7 2561/4885HTR1A 1442/4885HTR2A 3664/4885
US-20090069442-A1 Therapeutic Agent for Sensory Abnormality PMP22, NGF, HRH1 HTR7 684/4885HTR1A 497/4885HTR2A 1890/4885

“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.