SCHEMBL29389656

SCHEMBL29389656

CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)C(CC(=O)O)S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.47

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 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
FAAH O00519 7/20 0.44
CASP2 P42575 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
DNM1 Q05193 2/20 0.43
ENPP2 Q13822 1/20 0.43
NAAA Q02083 1/20 0.42
GLP1R P43220 3/20 0.41

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
SCHEMBL2727698 0.99 EPHX2 (0.48) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL3697473 0.97 EPHX2 (0.47) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL837285 0.92 GLP1R (0.48) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL837586 0.92 GLP1R (0.48) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL27943740 0.89 EPHX2 (0.44) EPHX2FAAHCASP2LPAR1LPAR2
SCHEMBL3697476 0.89 EPHX2 (0.44) EPHX2FAAHCASP2LPAR1LPAR2
SCHEMBL28701810 0.89 EPHX2 (0.44) EPHX2FAAHCASP2LPAR1LPAR2
SCHEMBL2727705 0.89 RECQL (0.46) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL2727567 0.88 RECQL (0.45) EPHX2FAAHCASP2CNR1CNR2
SCHEMBL29001684 0.88 RECQL (0.45) EPHX2FAAHCASP2CNR1CNR2

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 185 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems BEAUTY BIOLABS LLC (US) 2026-05-19 US disclosed
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-4186969-B1 SUPER-CONCENTRATED DILUTABLE POWDER FOR DISHWASHING APPLICATION HENKEL AG & CO KGAA (DE) 2026-04-01 EP 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-20220168198-A1 AN ANTIMICROBIAL MIXTURE SYMRISE AG (DE) 2022-06-02 US 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
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
EP-2694834-B2 KERATIN-BASED HAIR STRAIGHTENING FORMULATIONS, METHODS AND SYSTEMS BAUM MARC MICHAEL (US) 2022-04-06 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-12629327-B2 Keratin-based hair straightening formulations, methods and systems KRT18, HCN4, COL14A1 EPHX2 2997/4885FAAH 3621/4885CASP2 961/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 EPHX2 3916/4885FAAH 4153/4885CASP2 202/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB EPHX2 689/4885FAAH 660/4885CASP2 4305/4885
US-20220047476-A1 A METHOD FOR FIGHTING FEMALE BODY ODORS SHBG, C5, CUTA EPHX2 1552/4885FAAH 547/4885CASP2 818/4885
US-20220168198-A1 AN ANTIMICROBIAL MIXTURE TMSB10, FHIT, EBP EPHX2 2171/4885FAAH 2714/4885CASP2 1126/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 EPHX2 162/4885FAAH 464/4885CASP2 333/4885
US-20220071872-A1 A LIQUID AND TRANSPARENT BLEND OF UV FILTERS F2, F12, TYR EPHX2 4194/4885FAAH 166/4885CASP2 2922/4885

“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.