SCHEMBL416551

SCHEMBL416551

CCCCCCC(OC)(C(=O)c1ccccc1)C(=O)c1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CES2 O00748 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARA Q07869 1/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAAA Q02083 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8083975 0.89 CES1 (0.47) CES1TSHRCES2NAAACETP
SCHEMBL4591841 0.88 CES1 (0.47) CES1LMNACES2NAAACETP
SCHEMBL15651 0.84 CES1 (0.49) CES1LMNATSHRCES2KMT2A
SCHEMBL3675573 0.83 CES1 (0.44) CES1CES2NAAACETP
Methane SCHEMBL16506198 0.82 CES1 (0.47) CES1LMNATSHRCES2KMT2A
Water SCHEMBL28127793 0.82 CES1 (0.47) CES1LMNATSHRCES2KMT2A
SCHEMBL32681987 0.82 PTPN11 (0.45) LMNATSHRALDH1A1PPARACYP3A4
Benzophenone SCHEMBL2843986 0.80 CES1 (0.45) CES1LMNACES2ALDH1A1PPARA
SCHEMBL21239897 0.78 CES1 (0.41) CES1LMNATSHRCES2KMT2A
Dibenzoylmethane SCHEMBL2905077 0.78 KMT2A (0.49) CES1LMNACES2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935533-B1 USE OF AN ORGANIC SUNSCREEN COMPOUND IN A DIESEL FUEL COMPOSITION SHELL INT RESEARCH (NL) 2019-03-27 EP claimed
CN-104884584-B Liquid diesel fuel compositions containing organic sunscreen compounds 国际壳牌研究有限公司 2017-03-08 CN claimed
EP-2935533-A1 LIQUID DIESEL FUEL COMPOSITIONS CONTAINING ORGANIC SUNSCREEN COMPOUNDS Shell Internationale Research Maatschappij B.V. (NL) 2015-10-28 EP claimed
US-20140173973-A1 LIQUID FUEL COMPOSITIONS SHELL OIL COMPANY (US) 2014-06-26 US claimed
US-20140173972-A1 LIQUID FUEL COMPOSITIONS SHELL OIL COMPANY (US) 2014-06-26 US claimed
WO-2014096234-A1 LIQUID DIESEL FUEL COMPOSITIONS CONTAINING ORGANIC SUNSCREEN COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-06-26 WO claimed
EP-2575750-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE International Flora Technologies, Ltd. (US) 2013-04-10 EP claimed
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP claimed
CN-1902353-B Stabilized body care products, household products, textiles and fabrics CIBA SPEC CHEM CORP 2012-08-15 CN claimed
WO-2011149929-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-12-01 WO claimed
US-20110286946-A1 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-11-24 US claimed
US-7678381-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-16 US claimed
US-20070079446-A1 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORP. 2007-04-12 US claimed
CN-1902353-A Stabilized body care products, household products, textiles and fabrics CIBA SC HOLDING AG (CH) 2007-01-24 CN claimed
EP-2744365-B1 COSMETIC DEVICE NOXELL CORP (US) 2021-12-08 EP disclosed
EP-2935533-B1 USE OF AN ORGANIC SUNSCREEN COMPOUND IN A DIESEL FUEL COMPOSITION SHELL INT RESEARCH (NL) 2019-03-27 EP disclosed
US-10206859-B2 Cosmetic composition THE PROCTER & GAMBLE COMPANY (US) 2019-02-19 US disclosed
US-20070009474-A1 Personal care compositions and methods for the beautification of mammalian skin and hair THE PROCTER & GAMBLE COMPANY 2007-01-11 US disclosed
EP-1680541-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
WO-2005042828-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-12 WO 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 (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-20070079446-A1 Stabilized body care products, household products, textiles and fabrics CUTA, NISCH, DSC1 CES1 1632/4885LMNA 2104/4885TSHR 1658/4885
US-10206859-B2 Cosmetic composition CUTA, DEGS1, UGCG CES1 2052/4885LMNA 222/4885TSHR 2420/4885

“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.