SCHEMBL291772

SCHEMBL291772

CCCCCCCCC(=C(C)C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
PTGS2 P35354 6/20 0.54
THRB P10828 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
PGGT1B P53609 1/20 0.51
NAAA Q02083 1/20 0.49
ESR1 P03372 1/20 0.47

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
SCHEMBL6473817 1.00 CES2 (0.58) CES2CES1PTGS2THRBFNTA
SCHEMBL6255793 1.00 CES2 (0.58) CES2CES1PTGS2THRBFNTA
SCHEMBL343138 1.00 CES2 (0.58) CES2CES1PTGS2THRBFNTA
SCHEMBL343140 1.00 CES2 (0.58) CES2CES1PTGS2THRBFNTA
SCHEMBL238653 1.00 CES2 (0.58) CES2CES1PTGS2THRBFNTA
SCHEMBL3725995 0.93 PTGS2 (0.62) CES2CES1PTGS2NAAAESR1
SCHEMBL8156308 0.93 PTGS2 (0.62) CES2CES1PTGS2NAAAESR1
SCHEMBL3725992 0.93 PTGS2 (0.62) CES2CES1PTGS2NAAAESR1
SCHEMBL28755379 0.87 PTGS2 (0.50) CES2CES1PTGS2THRBFNTA
SCHEMBL1792697 0.86 CES2 (0.53) CES2CES1PTGS2ESR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531668-B1 MICROENCAPSULATED AGROCHEMICAL COMPOSITION SYNGENTA LTD (GB) 2009-06-17 EP claimed
US-20170367973-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT MALVERN COSMECEUTICS LIMITED (GB) 2017-12-28 US disclosed
US-20160022569-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT MALVERN COSMECEUTICS LIMITED (GB) 2016-01-28 US disclosed
EP-2428200-A2 Novel compositions Malvern Cosmeceutics Limited (GB) 2012-03-14 EP disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 US disclosed
US-20100062067-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT MALVERN COSMECEUTICS LIMITED (GB) 2010-03-11 US disclosed
EP-2037872-A2 COMPOSITIONS COMPRISING BETULONIC ACID Valtion Teknillinen Tutkimuskeskus (FI) 2009-03-25 EP disclosed
US-7402300-B2 Sunscreen compositions comprising lipophilic UV-screening agents and hydroxyalkylurea compounds L'OREAL (FR) 2008-07-22 US disclosed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
US-20070167339-A1 Production of particles QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-07-19 US disclosed
WO-2007064886-A2 SPRAY BOOTH AND METHOD FOR COATING THE HUMAN BODY WITH SUNSCREEN OR THE LIKE MCGUIRE KENT (US) 2007-06-07 WO disclosed
US-20070125798-A1 Spray booth and method for coating the human body with sunscreen or the like MCGUIRE KENT 2007-06-07 US disclosed
US-20060177393-A1 Sunscreen compositions comprising lipophilic UV-screening agents and hydroxyalkylurea compounds L'OREAL (FR) 2006-08-10 US disclosed
EP-1671675-A1 Sun protection composition comprising at least a lipophilic uv filter and a hydroxyalkyl urea derivative L'OREAL (FR) 2006-06-21 EP disclosed
EP-1117641-B1 INDOLIN DERIVATIVES AS SUN PROTECTION AGENTS CIBA SC HOLDING AG (CH) 2004-03-24 EP disclosed
EP-0827997-B1 PRODUCTION METHOD OF THERMAL STORAGE MATERIALS NIPPON CATALYTIC CHEM IND (JP) 2003-12-03 EP disclosed
US-6083417-A OILY GEL NIPPON SHOKUBAI CO., LTD. (JP) 2000-07-04 US disclosed
EP-0827997-A1 HEAT ACCUMULATING AGENT AND ITS PRODUCTION METHOD, HEAT ACCUMULATING MATERIAL AND ITS PRODUCTION METHOD, AND HEAT ACCUMULATOR NIPPON SHOKUBAI CO., LTD. (JP) 1998-03-11 EP disclosed
US-5556835-A CROSSLINKED ABSORBENT RESIN FOR ESSENTIAL OIL NIPPON SHOKUBAI CO., LTD. (JP) 1996-09-17 US disclosed
EP-0631788-A1 Gel-like fragrance composition NIPPON SHOKUBAI CO., LTD. (JP) 1995-01-04 EP 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 (5 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-20170367973-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT APOB, CLTB, ABCB4 CES2 3884/4885CES1 2520/4885PTGS2 4677/4885
US-20060177393-A1 Sunscreen compositions comprising lipophilic UV-screening agents and hydroxyalkylurea compounds CUTA, S100A11, KRT18 CES2 1408/4885CES1 110/4885PTGS2 3722/4885
US-20160022569-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT APOB, CLTB, ABCB4 CES2 3884/4885CES1 2520/4885PTGS2 4677/4885
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB CES2 1795/4885CES1 1157/4885PTGS2 2240/4885
US-20100062067-A1 COMPOSITIONS COMPRISING MACROMOLECULAR ASSEMBLIES OF LIPID AND SURFACTANT CLTB, APOB, ABCB4 CES2 2997/4885CES1 1727/4885PTGS2 4687/4885

“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.