SCHEMBL3114529

SCHEMBL3114529

CCCCCCCCCCCCCCCCCCN[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.54

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 8)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.47
CA1 known ✓ P00915 3/20 0.46
GPR84 Q9NQS5 1/20 0.54
NFKB1 P19838 1/20 0.47
NOD1 Q9Y239 1/20 0.45
EPHX2 P34913 1/20 0.44
FOLH1 Q04609 1/20 0.42
FABP3 P05413 4/20 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
SCHEMBL3114520 1.00 GPR84 (0.54) GPR84CA2NFKB1CA1NOD1
SCHEMBL1239366 1.00 GPR84 (0.54) GPR84CA2NFKB1CA1NOD1
SCHEMBL1239361 1.00 GPR84 (0.54) GPR84CA2NFKB1CA1NOD1
SCHEMBL29728786 1.00 GPR84 (0.54) GPR84CA2NFKB1CA1NOD1
SCHEMBL28788662 1.00 GPR84 (0.54) GPR84CA2NFKB1CA1NOD1
SCHEMBL438050 0.98 GPR84 (0.51) GPR84CA2NFKB1CA1NOD1
SCHEMBL438053 0.98 GPR84 (0.51) GPR84CA2NFKB1CA1NOD1
Potassium Ion SCHEMBL29518532 0.97 GPR84 (0.50) GPR84CA2NFKB1CA1NOD1
Potassium Ion SCHEMBL30514358 0.97 GPR84 (0.50) GPR84CA2NFKB1CA1NOD1
SCHEMBL8652553 0.95 GPR84 (0.47) GPR84CA2NFKB1CA1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017467-B1 COSMETIC O/W EMULSION CONTAINING SUCCINOGLUCAN BEIERSDORF AG (DE) 2026-05-20 EP claimed
EP-4727519-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM AND VANILLIN DERIVATIVES Beiersdorf AG (DE) 2026-04-22 EP claimed
EP-4727521-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM AND ACETATES Beiersdorf AG (DE) 2026-04-22 EP claimed
EP-4727657-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM, TERPINENES AND TERPINEOL Beiersdorf AG (DE) 2026-04-22 EP claimed
EP-3437627-B2 2-PROPYLHEPTYLOCTANOAT IN COSMETIC PREPARATIONS BASF SE (DE) 2025-03-05 EP claimed
WO-2024256180-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM AND ACETATES BEIERSDORF AG (DE) 2024-12-19 WO claimed
WO-2024256181-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM, TERPINENES AND TERPINEOL BEIERSDORF AG (DE) 2024-12-19 WO claimed
WO-2024256182-A1 COSMETIC PREPARATION CONTAINING XANTHAN GUM AND VANILLIN DERIVATIVES BEIERSDORF AG (DE) 2024-12-19 WO claimed
EP-4017598-A1 COSMETIC O/W EMULSION CONTAINING SUCCINOGLUCAN AND LIPOPHILIC UV FILTER SUBSTANCES Beiersdorf AG (DE) 2022-06-29 EP claimed
EP-4017467-A1 COSMETIC O/W EMULSION CONTAINING SUCCINOGLUCAN Beiersdorf AG (DE) 2022-06-29 EP claimed
EP-3962433-A1 COSMETIC OIL-IN-WATER EMULSION CONTAINING SCLEROGLUCANE Beiersdorf AG (DE) 2022-03-09 EP claimed
EP-3962435-A1 COSMETIC O/W EMULSION WITH SCLEROGLUCAN AND LIPOPHILIC UV FILTER SUBSTANCES Beiersdorf AG (DE) 2022-03-09 EP claimed
EP-3723707-A1 SUNSCREEN WITH A REDUCED TENDENCY TO STAIN TEXTILES Beiersdorf AG (DE) 2020-10-21 EP claimed
EP-3072499-B1 OCTOCRYLENE-FREE SUNSCREEN WITH LOW ADHESION BEIERSDORF AG (DE) 2019-07-17 EP claimed
EP-2907497-B1 Cosmetic emulsifier combination BEIERSDORF AG (DE) 2019-07-03 EP claimed
EP-2185123-B2 NOVEL COSMETIC EMULSIFIER COMBINATION BEIERSDORF AG (DE) 2019-03-20 EP claimed
EP-2905012-B1 Octocrylene-free sunscreen with low adhesion BEIERSDORF AG (DE) 2018-04-18 EP claimed
EP-2185123-B1 NOVEL COSMETIC EMULSIFIER COMBINATION BEIERSDORF AG (DE) 2015-11-18 EP claimed
US-20150209259-A1 OCTOCRYLENE-FREE SUNSCREEN COMPOSITION WITH LOW STICKINESS BEIERSDORF AG (DE) 2015-07-30 US claimed
US-20130266621-A1 STABLE COSMETIC PREPARATION WITH A HIGH PIGMENT CONTENT BEIERSDORF AG (DE) 2013-10-10 US claimed

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-20130266621-A1 STABLE COSMETIC PREPARATION WITH A HIGH PIGMENT CONTENT TYR, MITF, MC1R CA2 4616/4885CA1 4839/4885GPR84 4072/4885
US-20150209259-A1 OCTOCRYLENE-FREE SUNSCREEN COMPOSITION WITH LOW STICKINESS CUTA, TYR, TTI2 CA2 2840/4885CA1 4828/4885GPR84 4160/4885

“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.