SCHEMBL277697

SCHEMBL277697

CCCCCOc1ccc(CO)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
LPAR2 Q9HBW0 1/20 0.55
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PPARA Q07869 1/20 0.49
SMPD1 P17405 3/20 0.48
EPHX2 P34913 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL2820207 0.98 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL10427981 0.98 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL579290 0.98 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL579348 0.95 NPC1 (0.54) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL9706223 0.93 POLB (0.57) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL8845989 0.92 S1PR1 (0.49) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL13398989 0.90 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL10996676 0.90 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL1238817 0.90 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL579301 0.90 NPC1 (0.55) NPC1POLBRAB9A

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 142 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
US-12030326-B2 System and method for printing and drying flavors and fragrances INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-07-09 US disclosed
US-20240180220-A1 HYDROGEL ENCAPSULATIONS AND METHODS OF MAKING THE SAME INTERNATIONAL FLAVORS & FRANGRANCES INC. 2024-06-06 US disclosed
WO-2024100137-A1 CELL COMPOSITIONS GIVAUDAN SA (CH) 2024-05-16 WO disclosed
US-11950607-B2 Myceliated vegetable protein and food compositions comprising same Mycotechnology, Inc. (US) 2024-04-09 US disclosed
US-11937622-B2 Obtaining a volatile fraction from juices or alcoholic beverages SYMRISE AG (DE) 2024-03-26 US disclosed
EP-4323099-A1 HYDROGEL ENCAPSULATIONS AND METHODS OF MAKING THE SAME International Flavors & Fragrances Inc. (US) 2024-02-21 EP disclosed
WO-2024026225-A1 ROBUST FLAVOR EMULSIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-02-01 WO disclosed
CN-117202986-A Hydrogel encapsulation and method for producing same 国际香精香料公司 2023-12-08 CN disclosed
US-20230363427-A1 PREPARATION OF A SOLID FLAVOUR COMPOSITION, A COMPOSITION, FOOD COMPRISING THE COMPOSITION AND A FLAVOUR IMPARTING METHOD GIVAUDAN SA (CH) 2023-11-16 US disclosed
EP-1515943-B1 USE OF ALKYLAMIDOMANDELATES AS FLAVOURINGS SYMRISE GMBH & CO KG (DE) 2006-08-30 EP disclosed
EP-1682489-A1 USE OF ALKENE CARBOXLIC ACID N ALKYLAMIDES AS FLAVOURING AGENTS Symrise GmbH & Co. KG (DE) 2006-07-26 EP disclosed
WO-2006003210-A1 USE OF ALKYLOXYALCANIC ACID AMIDES, IN PARTICULAR IN THE FORM OF AROMATIC SUBSTANCES AND A NOVEL ALKYLOXYALCANIC ACID AMIDE SYMRISE GMBH & CO. KG (DE) 2006-01-12 WO 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-1515943-A1 USE OF ALKYLAMIDOMANDELATES AS FLAVOURINGS Symrise GmbH & Co. KG (DE) 2005-03-23 EP 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-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 (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-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT S1PR2 4767/4885S1PR1 4826/4885S1PR3 4744/4885
US-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT S1PR2 2968/4885S1PR1 3188/4885S1PR3 1832/4885

“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.