SCHEMBL29415397

SCHEMBL29415397

CCCCCCCC/C=C/CCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.51
LPAR2 Q9HBW0 3/20 0.51
ENPP2 Q13822 1/20 0.51
EPHX2 P34913 3/20 0.48
CNR1 P21554 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL29392097 0.87 LPAR1 (0.52) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL7190020 0.86 ALDH1A1 (0.37) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL2727565 0.86 FAAH (0.43) LPAR1LPAR2ENPP2CNR1ALDH1A1
SCHEMBL2687424 0.83 EPHX2 (0.45) LPAR1EPHX2CNR1ALDH1A1HPGD
SCHEMBL9437697 0.81 EPHX2 (0.54) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL29391868 0.81 LPAR1 (0.48) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL9860855 0.80 LPAR1 (0.67) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL9860844 0.80 LPAR1 (0.67) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL29383764 0.80 FAAH (0.55) LPAR1LPAR2ENPP2EPHX2CNR1
Disodium Lauramido Mea SCHEMBL3697471 0.79 FAAH (0.43) LPAR1LPAR2ENPP2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4734923-A1 CLEANSING COMPOSITIONS COMPRISING DIVALENT SALTS L'OREAL (FR) 2026-05-06 EP claimed
US-20250090435-A1 PRESERVATIVES FOR COSMETIC AND PHARMACEUTICAL COMPOSITIONS SACHEM, INC. (US) 2025-03-20 US claimed
US-20250009628-A1 CLEANSING COMPOSITIONS COMPRISING DIVALENT SALTS L'OREAL (FR) 2025-01-09 US claimed
EP-4486289-A1 COMPOSITIONS AND METHODS FOR CURLY HAIR L'OREAL (FR) 2025-01-08 EP claimed
WO-2025006412-A1 CLEANSING COMPOSITIONS COMPRISING DIVALENT SALTS L'OREAL (FR) 2025-01-02 WO claimed
EP-4376798-A1 PRESERVATIVES FOR COSMETIC AND PHARMACEUTICAL COMPOSITIONS Sachem, Inc. (US) 2024-06-05 EP claimed
WO-2023164280-A1 COMPOSITIONS AND METHODS FOR CURLY HAIR RUGHANI RONAK (US) 2023-08-31 WO claimed
WO-2023009849-A1 PRESERVATIVES FOR COSMETIC AND PHARMACEUTICAL COMPOSITIONS SACHEM, INC. (US) 2023-02-02 WO claimed
CN-122094649-A Personal care compositions 2026-05-26 CN disclosed
EP-4734923-A1 CLEANSING COMPOSITIONS COMPRISING DIVALENT SALTS L'OREAL (FR) 2026-05-06 EP disclosed
US-20260109915-A1 SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO L'OREAL (FR) 2026-04-23 US disclosed
US-20260108445-A1 CREAMY SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO L'OREAL (FR) 2026-04-23 US disclosed
US-20260108440-A1 Personal Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2026-04-23 US disclosed
US-20260108443-A1 Personal Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2026-04-23 US disclosed
US-20220241179-A1 CLEANSING COMPOSITIONS L'OREAL (FR) 2022-08-04 US disclosed
CN-114829561-A Liquid pearlescent composition 罗地亚经营管理公司 2022-07-29 CN disclosed
WO-2022146771-A1 EFFERVESCENT SOLID DOSAGE FORM COMPOSITIONS CONTAINING ENVIRONMENTALLY SAFER ANTI-MICROBIAL COMPONENTS CHEMLINK LABORATORIES, LLC (US) 2022-07-07 WO disclosed
US-20220096338-A1 COMPOSITIONS AND METHODS FOR STYLING HAIR L'OREAL (FR) 2022-03-31 US disclosed
WO-2022046520-A1 COMPOSITIONS AND METHODS FOR CLEANSING KERATIN MATERIALS L'OREAL (FR) 2022-03-03 WO disclosed
US-20220062136-A1 COMPOSITIONS AND METHODS FOR CLEANSING KERATIN MATERIALS L'OREAL (FR) 2022-03-03 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 (9 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-20260108445-A1 CREAMY SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO SMURF1, SGMS1, SGMS2 LPAR1 223/4885LPAR2 209/4885ENPP2 2054/4885
US-20250009628-A1 CLEANSING COMPOSITIONS COMPRISING DIVALENT SALTS DAGLB, DSG1, CUTA LPAR1 146/4885LPAR2 174/4885ENPP2 3836/4885
US-20250090435-A1 PRESERVATIVES FOR COSMETIC AND PHARMACEUTICAL COMPOSITIONS PLOD2, CUTA, PHOSPHO1 LPAR1 736/4885LPAR2 604/4885ENPP2 1999/4885
US-20260108440-A1 Personal Care Compositions PBDC1, PIEZO1, TRPC7 LPAR1 600/4885LPAR2 508/4885ENPP2 1904/4885
US-20220062136-A1 COMPOSITIONS AND METHODS FOR CLEANSING KERATIN MATERIALS KRT18, DSG1, SGMS1 LPAR1 535/4885LPAR2 476/4885ENPP2 1144/4885
US-20220241179-A1 CLEANSING COMPOSITIONS SMURF1, SMURF2, SGMS2 LPAR1 418/4885LPAR2 457/4885ENPP2 1963/4885
US-20220096338-A1 COMPOSITIONS AND METHODS FOR STYLING HAIR PIK3C3, PRKDC, FLNA LPAR1 2206/4885LPAR2 2050/4885ENPP2 1847/4885
US-20260109915-A1 SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO SGMS1, SGMS2, SMURF1 LPAR1 388/4885LPAR2 396/4885ENPP2 2735/4885
US-20260108443-A1 Personal Care Compositions SMURF1, WASHC4, CUTA LPAR1 859/4885LPAR2 893/4885ENPP2 1071/4885

“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.