SCHEMBL3387975

SCHEMBL3387975

CC1(C)CCC2(CC1(CCCCCCCCCCO)S(=O)(=O)c1ccccc1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
HTR7 P34969 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP2 P08253 2/20 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
SCHEMBL3392545 0.77 HTR7 (0.46) POLBALDH1A1TSHRL3MBTL1RECQL
SCHEMBL3388921 0.76 HTR7 (0.35) POLBALDH1A1TSHRL3MBTL1RECQL
SCHEMBL5604212 0.74 HTR7 (0.34) GAAMCOLN3HTR7
SCHEMBL3392538 0.68 HTR7 (0.38) POLBGAAMCOLN3HTR7
SCHEMBL6095183 0.62 HTR7 (0.46) TSHRGAAMCOLN3HTR7NPC1
SCHEMBL7928278 0.61 HTR7 (0.36) GAAMCOLN3HTR7
SCHEMBL31147497 0.61 MAOA (0.41) POLBALDH1A1TSHRL3MBTL1GAA
SCHEMBL3388221 0.60 POLB (0.44) POLBALDH1A1TSHRL3MBTL1RECQL
1,4-Butanediol SCHEMBL28575010 0.60 TSHR (0.73) POLBALDH1A1TSHRESR2TDP1
SCHEMBL4613715 0.59 TSHR (0.42) TSHRL3MBTL1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101180041-B Therapeutic agent for sensory disorder MEIJI DAIRIES CORP 2011-04-13 CN disclosed
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
CN-101180041-A Therapeutic agent for sensory disorder MEIJI DAIRIES CORP (JP) 2008-05-14 CN 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
US-6228893-B1 TREATING DEMENTIA MEIJI MILK PRODUCTS CO., LTD. (JP) 2001-05-08 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-20080312336-A1 Preventive and/or Therapeutic Agent for Diabetic Vascular Disorder and Respiratory Disorder CPT1B, CHRM1, ADRA1D POLB 1865/4885ALDH1A1 416/4885TSHR 3173/4885
US-20090069442-A1 Therapeutic Agent for Sensory Abnormality PMP22, NGF, HRH1 POLB 3695/4885ALDH1A1 200/4885TSHR 3494/4885

“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.