SCHEMBL278129

SCHEMBL278129

CCCCC/C=C/C/C=C/C/C=C/CCCCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 1.00
PPARD Q03181 6/20 1.00
PPARA Q07869 6/20 1.00
ALDH1A1 P00352 5/20 1.00
F7 P08709 5/20 1.00
F3 P13726 5/20 1.00
FABP4 P15090 4/20 1.00
HSD17B10 Q99714 4/20 1.00
FFAR1 O14842 3/20 1.00
PTGS1 P23219 3/20 1.00
LMNA P02545 3/20 1.00
CYP19A1 P11511 3/20 1.00
ALOX15 P16050 3/20 1.00
NR4A2 P43354 3/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP3A4 P08684 2/20 1.00
HPGD P15428 2/20 1.00
AKR1C3 P42330 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
DUSP3 P51452 2/20 1.00

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
SCHEMBL16685715 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
SCHEMBL15880317 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
Linoleic Acid SCHEMBL20856202 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
SCHEMBL22498259 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
SCHEMBL22498256 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
Arachidic Acid SCHEMBL20528087 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
Linoleic Acid SCHEMBL25294178 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
SCHEMBL22498258 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
Dihomo-Gamma-Linolenic Acid SCHEMBL20656585 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7
SCHEMBL21411004 1.00 PPARG (1.00) PPARGPPARDPPARAALDH1A1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213310-A1 CARBON CHAIN SUBSTANCE FOR REGULATING TRANSMEMBRANE TRANSPORT AND FLUIDITY OF CELL MEMBRANES, AND PREPARATION AND USE THEREOF 太阳雨林(北京)生物医药有限公司 2023-11-09 WO disclosed
CN-114569726-B Compound for preventing, preventing or treating microbial infection and preparation method and application thereof 太阳雨林(北京)生物医药有限公司 2022-10-28 CN disclosed
CN-114788872-A Compound for preventing, preventing or treating microbial infection and preparation and application thereof 太阳雨林(北京)生物医药有限公司 2022-07-26 CN disclosed
CN-114569726-A Compound for preventing, preventing or treating microbial infection and preparation method and application thereof 太阳雨林(北京)生物医药有限公司 2022-06-03 CN disclosed
US-8063107-B2 Use of trans-pellitorin as flavor substance SYMRISE AG (DE) 2011-11-22 US disclosed
EP-1517880-B1 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE AG (DE) 2011-01-05 EP disclosed
US-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2010-11-18 US disclosed
US-7776923-B2 Use of trans-pellitorin as flavor substance SYMRISE GMBH & CO. KG (DE) 2010-08-17 US disclosed
EP-1562893-B1 USE OF TRANS-PELLITORIN IN THE FORM OF AN AROMATIC SUBSTANCE SYMRISE GMBH & CO KG (DE) 2010-01-13 EP disclosed
US-7482479-B2 Production of cis-pellitorin and use as a flavouring SYMRISE GMBH & CO., KG (DE) 2009-01-27 US disclosed
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring SYMRISE AG (DE) 2005-10-20 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
EP-1517880-A2 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING Symrise GmbH & Co. KG (DE) 2005-03-30 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

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-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE PTMA, TAS2R14, TAS2R16 PPARG 698/4885PPARD 213/4885PPARA 221/4885
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT PPARG 498/4885PPARD 144/4885PPARA 178/4885

“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.