SCHEMBL258332

SCHEMBL258332

COc1cc(CCCCCCCOCCCCCCCc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
LTA4H P09960 2/20 0.53
TSHR P16473 1/20 0.52
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NR3C1 P04150 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46

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
SCHEMBL258247 1.00 PTGS1 (0.57) PTGS1LTA4HTSHRPPARGPPARA
SCHEMBL258331 0.83 LTA4H (0.56) PTGS1LTA4HTSHRPPARGPPARA
SCHEMBL357406 0.81 PTGS1 (0.64) PTGS1LTA4HTSHRTRPV1NR3C1
SCHEMBL2357109 0.81 PTGS1 (0.64) PTGS1LTA4HTSHRTRPV1NR3C1
SCHEMBL4603040 0.81 PTGS1 (0.57) PTGS1LTA4HTSHRTRPV1NR3C1
SCHEMBL10757013 0.81 TRPV1 (0.48) PTGS1LTA4HTRPV1
SCHEMBL7526112 0.81 LTA4H (0.59) PTGS1LTA4HTSHRTRPV1NR3C1
SCHEMBL29939055 0.81 PTGS1 (0.57) PTGS1LTA4HTSHRTRPV1NR3C1
SCHEMBL178978 0.80 TRPV1 (0.58) PTGS1LTA4HTSHRTRPV1
SCHEMBL26010801 0.80 HPGD (0.53) PTGS1LTA4HTSHRPPARGPPARA

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 113 patents — showing the first 20. 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-4699452-A2 OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES Symrise AG (DE) 2026-02-25 EP disclosed
US-20260041109-A1 ROBUST FLAVOR EMULSIONS INT FLAVORS & FRAGRANCES INC (US) 2026-02-12 US disclosed
EP-3836799-B1 OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES SYMRISE AG (DE) 2025-11-26 EP disclosed
US-12419815-B2 Microcapsule compositions stabilized with viscosity control agents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-09-23 US disclosed
EP-4615958-A1 CELL COMPOSITIONS Givaudan SA (CH) 2025-09-17 EP disclosed
US-12357547-B2 Compositions containing microcapsules INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-07-15 US disclosed
US-12324452-B2 Delivery systems and methods of preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-06-10 US disclosed
EP-4561360-A1 ROBUST FLAVOR EMULSIONS International Flavors & Fragrances Inc. (US) 2025-06-04 EP disclosed
US-12274771-B2 Polyurea capsule compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-04-15 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
EP-1562893-A2 USE OF TRANS-PELLITORIN IN THE FORM OF AN AROMATIC SUBSTANCE Symrise GmbH & Co. KG (DE) 2005-08-17 EP disclosed
WO-2005044778-A1 USE OF ALKENE CARBOXLIC ACID N ALKYLAMIDES AS FLAVOURING AGENTS SYMRISE GMBH & CO. KG (DE) 2005-05-19 WO disclosed
EP-1517880-A2 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING Symrise GmbH & Co. KG (DE) 2005-03-30 EP disclosed
EP-1515943-A1 USE OF ALKYLAMIDOMANDELATES AS FLAVOURINGS Symrise GmbH & Co. KG (DE) 2005-03-23 EP disclosed
US-20040241312-A1 Use of 2E,4E-decadienoic acid isobutylamide for imparting a salivation inducing effect to a foodstuff, an oral hygiene preparation or a gourmet or snack preparation; preparation by amidating a dodecadienoate with isobutylamine SYMRISE AG (DE) 2004-12-02 US disclosed
WO-2004043906-A2 USE OF TRANS-PELLITORIN IN THE FORM OF AN AROMATIC SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-05-27 WO disclosed
WO-2004000787-A2 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE GMBH & CO. KG (DE) 2003-12-31 WO disclosed
WO-2003106404-A1 USE OF ALKYLAMIDOMANDELATES AS FLAVOURINGS SYMRISE GMBH & CO. KG (DE) 2003-12-24 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 (7 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-12357547-B2 Compositions containing microcapsules COPE, SAAL1, AUP1 PTGS1 4417/4885LTA4H 1613/4885TSHR 3290/4885
US-12324452-B2 Delivery systems and methods of preparing the same MAL2, TAS2R42, TAS2R31 PTGS1 1476/4885LTA4H 303/4885TSHR 2243/4885
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT PTGS1 1482/4885LTA4H 30/4885TSHR 4375/4885
US-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT PTGS1 2281/4885LTA4H 1130/4885TSHR 4512/4885
US-12419815-B2 Microcapsule compositions stabilized with viscosity control agents ACR, ALG1, MLEC PTGS1 3366/4885LTA4H 1355/4885TSHR 3885/4885
US-12274771-B2 Polyurea capsule compositions PUF60, UMPS, PCBP1 PTGS1 3400/4885LTA4H 3753/4885TSHR 3075/4885
US-20260041109-A1 ROBUST FLAVOR EMULSIONS ACACA, FABP4, CUTA PTGS1 2811/4885LTA4H 3142/4885TSHR 2363/4885

“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.