SCHEMBL4133165

SCHEMBL4133165

CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 1.00
THRB P10828 1/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
ASAH1 Q13510 2/20 0.78
TP53 P04637 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2D6 P10635 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
MAPK1 P28482 1/20 0.75
CYP2C19 P33261 1/20 0.75
ASAH2 Q9NR71 2/20 0.71
DEGS1 O15121 1/20 0.70
PLA2G4A P47712 4/20 0.68
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL4133213 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL13863420 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22973496 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL5527047 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22911186 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22973426 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL24032894 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22973497 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22910831 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22910800 1.00 CETP (1.00) CETPTHRBMEN1KMT2AASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109196358-B Method for evaluating skin condition of infant 花王株式会社 2022-02-18 CN disclosed
US-20190302133-A1 Method for Evaluating Health of Skin KAO CORPORATION (JP) 2019-10-03 US disclosed
CN-109196358-A Method for evaluating skin condition of infant 花王株式会社 2019-01-11 CN disclosed
US-8647649-B2 Emulsified composition KAO CORPORATION (JP) 2014-02-11 US disclosed
US-8647649-B2 Emulsified composition KAO CORPORATION (JP) 2014-02-11 US disclosed
US-8586065-B2 Oil-in-water emulsified cosmetic composition KAO CORPORATION (JP) 2013-11-19 US disclosed
US-8252272-B2 Hair cosmetic composition KAO CORPORATION (JP) 2012-08-28 US disclosed
US-8252272-B2 Hair cosmetic composition KAO CORPORATION (JP) 2012-08-28 US disclosed
US-20120108661-A1 EMULSIFIED COMPOSITION KAO CORPORATION (JP) 2012-05-03 US disclosed
US-20120108661-A1 EMULSIFIED COMPOSITION KAO CORPORATION (JP) 2012-05-03 US disclosed
US-7842100-B2 Two-part oxidative hair dye composition KAO CORPORATION (JP) 2010-11-30 US disclosed
US-7842100-B2 Two-part oxidative hair dye composition KAO CORPORATION (JP) 2010-11-30 US disclosed
US-20100172859-A1 TWO-PART OXIDATIVE HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-07-08 US disclosed
US-20100172859-A1 TWO-PART OXIDATIVE HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-07-08 US disclosed
US-20100154135-A1 OXIDATIVE HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-24 US disclosed
US-20100154135-A1 OXIDATIVE HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-24 US disclosed
US-20090047231-A1 AQUEOUS HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2009-02-19 US disclosed
US-20090047231-A1 AQUEOUS HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2009-02-19 US disclosed
US-20080299063-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2008-12-04 US disclosed
US-20080299063-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2008-12-04 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 (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-20100154135-A1 OXIDATIVE HAIR DYE COMPOSITION COXFA4, COXFA4L2, NDUFAB1 CETP 1466/4885THRB 2261/4885MEN1 4853/4885
US-20080299063-A1 HAIR COSMETIC COMPOSITION H1-0, H1-3, H1-2 CETP 1482/4885THRB 1149/4885MEN1 314/4885
US-20090047231-A1 AQUEOUS HAIR COSMETIC COMPOSITION POLR1C, CUTA, POLH CETP 540/4885THRB 173/4885MEN1 1367/4885
US-20120108661-A1 EMULSIFIED COMPOSITION CERT1, S1PR4, S1PR3 CETP 23/4885THRB 185/4885MEN1 1285/4885
US-20100172859-A1 TWO-PART OXIDATIVE HAIR DYE COMPOSITION COXFA4L2, LPO, COXFA4 CETP 866/4885THRB 1792/4885MEN1 4804/4885

“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.