SCHEMBL1052058

SCHEMBL1052058

CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.71
▸ DNM1 Q05193 1/20 0.59
▸ MAPT P10636 2/20 0.56
▸ PAM P19021 2/20 0.55
▸ ADRA2A P08913 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ BLM P54132 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ NAAA Q02083 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ACHE P22303 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL377473 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL1049974 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL1056065 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL7113175 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL7114491 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
SCHEMBL7113105 1.00 DGKA (0.71) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL125089 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL243866 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Hydrochloric Acid SCHEMBL5907091 0.98 DGKA (0.69) DGKADNM1MAPTPAMADRA2A
Bromide SCHEMBL10492800 0.95 DGKA (0.65) DGKADNM1MAPTPAMADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345650-B2 Composition and method for the smoothing of fibres containing keratin HENKEL AG & CO. KGAA (DE) 2016-05-24 — — US disclosed
EP-1786520-B1 COMPOSITION AND METHOD FOR THE SMOOTHING OF FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2016-03-09 — — EP disclosed
US-8900561-B2 Hair treatment agents containing 4-morpholino-methyl-substituted silicone(s) and conditioning agent(s) HENKEL AG & CO. KGAA (DE) 2014-12-02 — — US disclosed
EP-2785321-A2 HAIR TREATMENT AGENTS CONTAINING 4-MORPHOLINO-METHYL-SUBSTITUTED SILICONE(S) AND CONDITIONING AGENT(S) Henkel AG & Co. KGaA (DE) 2014-10-08 — — EP disclosed
US-20140271750-A1 HAIR TREATMENT AGENTS CONTAINING 4-MORPHOLINO-METHYL-SUBSTITUTED SILICONE(S) AND CONDITIONING AGENT(S) HENKEL AG & CO. KGAA (DE) 2014-09-18 — — US disclosed
EP-2056780-B1 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO KGAA (DE) 2013-08-14 — — EP disclosed
WO-2013079298-A2 HAIR TREATMENT AGENTS CONTAINING 4-MORPHOLINO-METHYL-SUBSTITUTED SILICONE(S) AND CONDITIONING AGENT(S) HENKEL AG & CO. KGAA (DE) 2013-06-06 — — WO disclosed
EP-2594249-A2 Hair treatment agent with cationic care agent and cationic tenside(s) Henkel AG & Co. KGaA (DE) 2013-05-22 — — EP disclosed
US-20110162670-A1 Composition and Method for the Smoothing of Fibres Containing Keratin HENKEL AG & CO. KGAA (DE) 2011-07-07 — — US disclosed
EP-2277597-A1 Reductive colour removal Henkel AG & Co. KGaA (DE) 2011-01-26 — — EP disclosed
EP-2056780-A1 REDUCTIVE COLOUR REMOVAL Henkel AG & Co. KGaA (DE) 2009-05-13 — — EP disclosed
EP-2001559-A2 REDUCTIVE COLOUR REMOVAL Henkel AG & Co. KGaA (DE) 2008-12-17 — — EP disclosed
WO-2008055756-A1 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2008-05-15 — — WO disclosed
US-20070267035-A1 Composition and Method for the Smoothing of Fibres Containing Keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-22 — — US disclosed
WO-2007107313-A2 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2007-09-27 — — 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-20070267035-A1 Composition and Method for the Smoothing of Fibres Containing Keratin KRT18, HDAC10, PUF60 DGKA 2499/4885DNM1 1657/4885MAPT 1126/4885
US-20140271750-A1 HAIR TREATMENT AGENTS CONTAINING 4-MORPHOLINO-METHYL-SUBSTITUTED SILICONE(S) AND CONDITIONING AGENT(S) BHMT2, MGMT, SMC3 DGKA 3406/4885DNM1 2948/4885MAPT 3215/4885

“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.

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