SCHEMBL483582

SCHEMBL483582

CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)OCC(CCCCCCCC)CCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
NOD1 Q9Y239 7/20 0.52
POLB P06746 1/20 0.47
SLC6A5 Q9Y345 1/20 0.44
MEN1 O00255 2/20 0.44
FAAH O00519 2/20 0.44
MAPK1 P28482 1/20 0.44
DNM1 Q05193 1/20 0.43
PLA2G4A P47712 2/20 0.43
LPAR3 Q9UBY5 2/20 0.42

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
SCHEMBL28511128 1.00 KMT2A (0.52) KMT2ANOD1POLBSLC6A5MEN1
SCHEMBL28000179 0.96 KMT2A (0.51) KMT2ANOD1POLBSLC6A5MEN1
SCHEMBL4968856 0.93 TSHR (0.51) KMT2ANOD1POLBMEN1FAAH
SCHEMBL9762126 0.88 KMT2A (0.64) KMT2ANOD1POLBMEN1FAAH
SCHEMBL155009 0.88 KMT2A (0.64) KMT2ANOD1POLBMEN1FAAH
SCHEMBL155010 0.88 NOD1 (0.55) KMT2ANOD1POLBSLC6A5MEN1
SCHEMBL9762130 0.88 NOD1 (0.55) KMT2ANOD1POLBSLC6A5MEN1
SCHEMBL9762120 0.88 KMT2A (0.64) KMT2ANOD1POLBMEN1FAAH
SCHEMBL21495973 0.88 NOD1 (0.55) KMT2ANOD1POLBSLC6A5MEN1
SCHEMBL21838299 0.88 NOD1 (0.55) KMT2ANOD1POLBSLC6A5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213011-B1 Cosmetic material comprising branched silicone compounds SHINETSU CHEMICAL CO (JP) 2016-02-17 EP disclosed
US-9090755-B2 Organopolysiloxane polymer, pasty composition, and cosmetic preparation containing the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-8828410-B2 Pasty composition and cosmetics containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8808675-B2 Organopolysiloxane hair treatment agent and hair cosmetic containing the treatment agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
EP-1618872-B1 ORGANOPOLYSILOXANE HAIR TREATMENT AGENT AND HAIR COSMETIC CONTAINING THE TREATMENT AGENT SHINETSU CHEMICAL CO (JP) 2013-07-24 EP disclosed
EP-1992656-B9 Novel Organopolysiloxanpolymer, Pasty Composition, and Cosmetic Preparation Containing the Composition SHINETSU CHEMICAL CO (JP) 2012-09-26 EP disclosed
EP-1426027-B1 COMPOSITION AND COSMETIC PREPARATION CONTAINING THE SAME SHINETSU CHEMICAL CO (JP) 2012-09-05 EP disclosed
EP-1935924-B1 Pasty composition, and cosmetic preparation containing the same SHINETSU CHEMICAL CO (JP) 2012-06-06 EP disclosed
EP-1992656-B1 Novel Organopolysiloxanpolymer, Pasty Composition, and Cosmetic Preparation Containing the Composition SHINETSU CHEMICAL CO (JP) 2012-05-23 EP disclosed
EP-1550687-B1 NOVEL ORGANOPOLYSILOXANE POLYMER, PASTY COMPOSITION, AND COSMETIC PREPARATION CONTAINING THE COMPOSITION SHINETSU CHEMICAL CO (JP) 2012-05-23 EP disclosed
EP-1213011-A1 Cosmetic material comprising branched silicone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-6399081-B1 SILICONE RESIN POWDER WITH TABULAR SHAPE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-04 US disclosed
US-20020058053-A1 COSMETIC MATERIAL COMPRISING ORGANOPOLYSILOXANE-GRAFTED SILICONE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-16 US disclosed
US-20010018044-A1 Novel silicone compound, a powder surface-treated with this compound, and a makeup containing this powder SHIN-ETSU CHEMICAL CO., LTD. OF (JP) 2001-08-30 US disclosed
US-20010014312-A1 Novel silicon compound, and a makeup containing this compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-16 US disclosed
EP-1122276-A2 A novel silicone compound and a makeup containing this compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-08 EP disclosed
EP-1122277-A2 A novel silicone compound, a powder surface-treated with this compound, and makeup containing this powder Shin-Etsu Chemical Co., Ltd. (JP) 2001-08-08 EP disclosed
EP-1072627-A2 Silicone compound and cosmetic materials containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-01-31 EP disclosed
EP-1065234-A2 Silicones for powder treatment powders having surface treated with said silicones, and cosmetic materials containing said powders SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-01-03 EP disclosed
EP-1062944-A1 Cosmetic material SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-12-27 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 (3 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-20010014312-A1 Novel silicon compound, and a makeup containing this compound LOXL1, SAAL1, ACVRL1 KMT2A 2312/4885NOD1 4248/4885POLB 2138/4885
US-20020058053-A1 COSMETIC MATERIAL COMPRISING ORGANOPOLYSILOXANE-GRAFTED SILICONE COMPOUND H1-0, H1-2, H1-3 KMT2A 2730/4885NOD1 4537/4885POLB 813/4885
US-20010018044-A1 Novel silicone compound, a powder surface-treated with this compound, and a makeup containing this powder SCARB1, SAAL1, HBS1L KMT2A 1953/4885NOD1 3775/4885POLB 2010/4885

“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.