SCHEMBL454182

SCHEMBL454182

CCCCCCCCCCCCCCCCN1CCCC1(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR4 O95977 1/20 0.40
BCHE P06276 3/20 0.36
OPRM1 P35372 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL28772993 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL10527688 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9555188 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL456427 0.98 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9357045 0.98 S1PR1 (0.39) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9357038 0.98 S1PR1 (0.39) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL8893018 0.93 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4L3MBTL1
SCHEMBL8893030 0.93 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4L3MBTL1
Palmitamide SCHEMBL1072214 0.92 MEN1 (0.40) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL949468 0.89 L3MBTL1 (0.36) S1PR1S1PR3S1PR5S1PR4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968108-A1 COSMETIC COMPOSITIONS Mary Kay, Inc. (US) 2016-01-20 EP claimed
WO-2014159238-A1 COSMETIC COMPOSITIONS MARY KAY INC. (US) 2014-10-02 WO claimed
US-20140271525-A1 COSMETIC COMPOSITIONS MARY KAY INC. (US) 2014-09-18 US claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
US-12564551-B2 Composition or oat extract comprising avenanthramide and β-glucan SYMRISE AG (DE) 2026-03-03 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
US-20250270182-A1 Composition Comprising an Antimicrobial Agent and an Alkyl Ketal Ester Compound SYMRISE AG (DE) 2025-08-28 US disclosed
US-20250255833-A1 Compositions Comprising One or More (Bio)-Alkanediols with Antioxidants SYMRISE AG (DE) 2025-08-14 US disclosed
US-12350357-B2 Active agents for skin and hair care with physicochemical modifying properties SYMRISE AG (DE) 2025-07-08 US disclosed
US-12303468-B2 Compositions comprising one or more (bio)-alkanediols with antioxidants SYMRISE AG (DE) 2025-05-20 US disclosed
US-20250143988-A1 COMPOSTITION WITH STABILIZED TASTE AND ODOR SYMRISE AG (DE) 2025-05-08 US disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed
US-20110104089-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND NEOPENTYL GLYCOL DIISONONANOATE SYMRISE AG (DE) 2011-05-05 US disclosed
US-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE SYMRISE AG (DE) 2011-04-21 US disclosed
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE GMBH & CO., KG (DE) 2011-02-10 US disclosed
US-20100196504-A1 SYNERGISTIC ACTIVE PREPARATIONS COMPRISING 1,2-DECANEDIOL AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2010-08-05 US disclosed
US-20090306154-A1 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS SYMRISE GMBH & CO., KG (DE) 2009-12-10 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 (12 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-20250255833-A1 Compositions Comprising One or More (Bio)-Alkanediols with Antioxidants MMP8, CXCL8, IL18 S1PR1 2517/4885S1PR3 2274/4885S1PR5 3548/4885
US-20250270182-A1 Composition Comprising an Antimicrobial Agent and an Alkyl Ketal Ester Compound GK, DAGLA, KAT5 S1PR1 1483/4885S1PR3 1181/4885S1PR5 780/4885
US-20100196504-A1 SYNERGISTIC ACTIVE PREPARATIONS COMPRISING 1,2-DECANEDIOL AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS DDT, CUTA, DPM1 S1PR1 1199/4885S1PR3 2105/4885S1PR5 2255/4885
US-12564551-B2 Composition or oat extract comprising avenanthramide and β-glucan CUTA, HLA-A, OAT S1PR1 2034/4885S1PR3 2179/4885S1PR5 2836/4885
US-12303468-B2 Compositions comprising one or more (bio)-alkanediols with antioxidants MMP8, CXCL8, IL18 S1PR1 2517/4885S1PR3 2274/4885S1PR5 3548/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 S1PR1 4144/4885S1PR3 3842/4885S1PR5 4166/4885
US-20140271525-A1 COSMETIC COMPOSITIONS SGMS1, SGMS2, ITCH S1PR1 132/4885S1PR3 82/4885S1PR5 59/4885
US-20250143988-A1 COMPOSTITION WITH STABILIZED TASTE AND ODOR TAS2R16, TAS2R8, FFAR2 S1PR1 81/4885S1PR3 91/4885S1PR5 267/4885
US-20090306154-A1 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS CBR3, MTPN, UTRN S1PR1 3838/4885S1PR3 2920/4885S1PR5 4320/4885
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS FABP4, PLIN1, CPT1B S1PR1 939/4885S1PR3 1080/4885S1PR5 2286/4885
US-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE CUTA, FHIT, FAM83A S1PR1 980/4885S1PR3 524/4885S1PR5 384/4885
US-20110104089-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND NEOPENTYL GLYCOL DIISONONANOATE CUTA, KIT, DEGS1 S1PR1 2328/4885S1PR3 2133/4885S1PR5 1115/4885

“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.