SCHEMBL1013497

SCHEMBL1013497

CCCC(Cc1ccc(OC(C)=O)c(OC)c1)OC(CCC)Cc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
LTA4H P09960 2/20 0.54
LDHA P00338 1/20 0.50
TSHR P16473 1/20 0.47
ALOX15 P16050 6/20 0.46
NR3C1 P04150 1/20 0.44
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
TNFSF11 O14788 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3241738 0.94 LTA4H (0.49) PTGS1LTA4HLDHATSHRALOX15
SCHEMBL1874328 0.91 LTA4H (0.65) PTGS1LTA4HLDHATSHRALOX15
Acetic Acid SCHEMBL3241741 0.82 FOS (0.55) LTA4HLDHATSHRALOX15NR3C1
SCHEMBL21402299 0.79 ALOX15 (0.62) TSHRALOX15NR3C1JUNNFKB1
SCHEMBL676400 0.79 FOS (0.62) PTGS1TSHRALOX15NR3C1JUN
SCHEMBL357406 0.79 PTGS1 (0.64) PTGS1LTA4HTSHRNR3C1JUN
SCHEMBL5133639 0.78 PTGS1 (0.68) PTGS1LTA4HLDHATSHRNR3C1
SCHEMBL10705215 0.77 LDHA (0.61) PTGS1LDHATSHRALOX15NR3C1
SCHEMBL10426009 0.77 LDHA (0.61) PTGS1LDHATSHRALOX15NR3C1
SCHEMBL10426010 0.77 LDHA (0.61) PTGS1LDHATSHRALOX15NR3C1

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-2011056748-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
WO-2011056759-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 PTGS1 354/4885LTA4H 562/4885LDHA 626/4885
US-20110104080-A1 Oral Compositions for Treatment of Dry Mouth LPO, TAS2R40, TAS2R60 PTGS1 354/4885LTA4H 562/4885LDHA 626/4885
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT PTGS1 1482/4885LTA4H 30/4885LDHA 1121/4885
US-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT PTGS1 2281/4885LTA4H 1130/4885LDHA 3502/4885
US-20080242740-A1 AROMA COMPOSITIONS OF ALKAMIDES WITH HESPERETIN AND/OR 4-HYDROXYDIHYDROCHALCONES AND SALTS THEREOF FOR ENHANCING SWEET SENSORY IMPRESSIONS TAS2R5, TAS2R20, TAS2R40 PTGS1 2200/4885LTA4H 771/4885LDHA 1081/4885
US-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 PTGS1 141/4885LTA4H 164/4885LDHA 1347/4885

“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.