SCHEMBL29389239

SCHEMBL29389239

CCC(CO)(CO)CO.O=C([O-])CNCC(=O)OCCCO.[Na+]

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 6/20 0.31

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
SCHEMBL28650100 0.91 TDP1 (0.31) TDP1
SCHEMBL28650804 0.86 CA1 (0.36) POLBTDP1ACHE
SCHEMBL11348835 0.77 CA1 (0.35) ACHE
SCHEMBL8948227 0.77 CA1 (0.35) ACHE
SCHEMBL28812122 0.76 NAAA (0.55) ACHE
SCHEMBL28685186 0.76 NAAA (0.55) ACHE
SCHEMBL28387816 0.76 NAAA (0.55) ACHE
Water SCHEMBL11884552 0.75 CA1 (0.34) ACHE
Potassium Ion SCHEMBL28524609 0.73 CA1 (0.35) ACHE
SCHEMBL11783391 0.71 CA1 (0.32)

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
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
EP-4687810-A1 PREPARATIONS COMPRISING HYDROXY PINACOLONE RETINOATE Symrise AG (DE) 2026-02-11 EP disclosed
EP-4110276-B1 COMPOSITIONS COMPRISING ALKANEDIOLS SYMRISE AG (DE) 2026-01-28 EP disclosed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
US-12503672-B2 Rim block with improved scent performance SYMRISE AG (DE) 2025-12-23 US disclosed
WO-2022122136-A1 COMPOSITIONS COMPRISING ONE OR MORE (BIO)-ALKANEDIOLS WITH ANTIOXIDANTS SYMRISE AG (DE) 2022-06-16 WO disclosed
WO-2022111829-A1 ESSENTIAL OILS OF CITRUS FRUITS FOR USE AS MEDICAMENT FOR INDUCED, INCREASED AND/OR ACCELERATED AUTOPHAGY IN HUMAN KERATINOCYTES SYMRISE AG (DE) 2022-06-02 WO disclosed
US-20220168198-A1 AN ANTIMICROBIAL MIXTURE SYMRISE AG (DE) 2022-06-02 US disclosed
EP-3993767-A1 BLEND OF BEESWAX AND A LACTYLATE ESTER Symrise AG (DE) 2022-05-11 EP disclosed
EP-3986365-A1 SURFACTANT CONTAINING FORMULATION OF PSEUDO-CERAMIDES Symrise AG (DE) 2022-04-27 EP disclosed
US-20220117881-A1 A HAIR CARE COMPOSITION SYMRISE AG (DE) 2022-04-21 US disclosed
EP-3982910-A1 A COOLING PREPARATION Symrise AG (DE) 2022-04-20 EP disclosed
WO-2022053140-A1 SURFACTANT CONTAINING FORMULATION OF PSEUDO-CERAMIDES SYMRISE AG (DE) 2022-03-17 WO disclosed
US-20220071872-A1 A LIQUID AND TRANSPARENT BLEND OF UV FILTERS SYMRISE AG (DE) 2022-03-10 US disclosed
US-20220047476-A1 A METHOD FOR FIGHTING FEMALE BODY ODORS SYMRISE AG (DE) 2022-02-17 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 (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-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 POLB 735/4885TDP1 3044/4885ACHE 1642/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 POLB 2297/4885TDP1 4601/4885ACHE 4308/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB POLB 907/4885TDP1 2532/4885ACHE 2124/4885
US-20220047476-A1 A METHOD FOR FIGHTING FEMALE BODY ODORS SHBG, C5, CUTA POLB 843/4885TDP1 3557/4885ACHE 593/4885
US-20220168198-A1 AN ANTIMICROBIAL MIXTURE TMSB10, FHIT, EBP POLB 193/4885TDP1 2896/4885ACHE 2982/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 POLB 2132/4885TDP1 1237/4885ACHE 2154/4885
US-20220071872-A1 A LIQUID AND TRANSPARENT BLEND OF UV FILTERS F2, F12, TYR POLB 279/4885TDP1 2197/4885ACHE 3765/4885

“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.