SCHEMBL1013496

SCHEMBL1013496

COc1ccccc1CC(CCOCCC(COC(C)=O)Cc1ccccc1OC)COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1012849 0.80 IDO1 (0.41) NPSR1TSHRHPGDHTTALDH1A1
SCHEMBL14047008 0.79 HPGD (0.47) MTNR1AMTNR1BTSHRHPGDHTT
SCHEMBL749525 0.79 HPGD (0.47) MTNR1AMTNR1BTSHRHPGDHTT
SCHEMBL12301716 0.79 HPGD (0.47) MTNR1AMTNR1BTSHRHPGDHTT
SCHEMBL1874326 0.74 ALDH1A1 (0.43) MTNR1AMTNR1BNPSR1TSHRHPGD
SCHEMBL20072234 0.72 MTNR1A (0.59) MTNR1AMTNR1BHPGD
SCHEMBL1030014 0.72 IDO1 (0.56) MTNR1AMTNR1BNPSR1HPGDHTT
SCHEMBL5930158 0.71 ALDH1A1 (0.57) TSHRHTTALDH1A1KMT2ALMNA
SCHEMBL6695813 0.70 MTNR1A (0.53) MTNR1AMTNR1BNPSR1TSHRHPGD
SCHEMBL20212336 0.69 MTNR1A (0.51) MTNR1AMTNR1BNPSR1TSHRHPGD

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
EP-1517880-B1 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE AG (DE) 2011-01-05 EP claimed
EP-2496204-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH The Procter & Gamble Company (US) 2012-09-12 EP disclosed
EP-2496205-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056759-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
WO-2011056748-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
US-20110104080-A1 Oral Compositions for Treatment of Dry Mouth THE PROCTER & GAMBLE COMPANY 2011-05-05 US disclosed
US-20110104081-A1 Oral Compositions for Treatment of Dry Mouth THE PROCTER & GAMBLE COMPANY 2011-05-05 US disclosed
US-7482479-B2 Production of cis-pellitorin and use as a flavouring SYMRISE GMBH & CO., KG (DE) 2009-01-27 US disclosed
US-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS SYMRISE GMBH & CO. KG (DE) 2008-10-02 US disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring SYMRISE AG (DE) 2005-10-20 US disclosed
US-20050208084-A1 Use of alkylamidomandelates as flavourings SYMRISE GMBH & CO. KG (DE) 2005-09-22 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 (6 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-20110104081-A1 Oral Compositions for Treatment of Dry Mouth LPO, TAS2R40, TAS2R60 MTNR1A 3224/4885MTNR1B 4050/4885NPSR1 2328/4885
US-20110104080-A1 Oral Compositions for Treatment of Dry Mouth LPO, TAS2R40, TAS2R60 MTNR1A 3224/4885MTNR1B 4050/4885NPSR1 2328/4885
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT MTNR1A 2995/4885MTNR1B 3147/4885NPSR1 2495/4885
US-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT MTNR1A 500/4885MTNR1B 328/4885NPSR1 2141/4885
US-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS TAS2R5, TAS2R20, TAS2R40 MTNR1A 2199/4885MTNR1B 2941/4885NPSR1 489/4885
US-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 MTNR1A 1225/4885MTNR1B 1136/4885NPSR1 3943/4885

“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.