SCHEMBL2183193

SCHEMBL2183193

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)CCO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FAAH O00519 3/20 0.51
MAPK1 P28482 1/20 0.51
DNM1 Q05193 1/20 0.46
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
HSP90AA1 P07900 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
THRB P10828 1/20 0.41
DEGS1 O15121 1/20 0.41
ASAH1 Q13510 1/20 0.41
CETP P11597 1/20 0.41
PLA2G10 O15496 1/20 0.40

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
SCHEMBL1977485 1.00 MEN1 (0.51) MEN1KMT2AFAAHMAPK1DNM1
Hydrochloric Acid SCHEMBL9720712 0.98 MEN1 (0.50) MEN1KMT2AFAAHMAPK1DNM1
Ammonia Solution, Strong SCHEMBL2175765 0.98 MEN1 (0.50) MEN1KMT2AFAAHMAPK1DNM1
Phosphoric Acid SCHEMBL28871543 0.94 MEN1 (0.46) MEN1KMT2AFAAHMAPK1DNM1
Phosphoric Acid SCHEMBL10488978 0.94 PLA2G1B (0.46) MEN1KMT2AFAAHMAPK1DNM1
Phosphoric Acid SCHEMBL2959378 0.93 PLA2G1B (0.46) MEN1KMT2AFAAHMAPK1DNM1
SCHEMBL1188996 0.93 FAAH (0.45) MEN1KMT2AFAAHMAPK1DNM1
SCHEMBL8764913 0.93 MEN1 (0.50) MEN1KMT2AFAAHMAPK1DNM1
SCHEMBL1692095 0.92 MEN1 (0.44) MEN1KMT2AFAAHMAPK1DNM1
SCHEMBL9848875 0.92 MEN1 (0.44) MEN1KMT2AFAAHMAPK1DNM1

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 5 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
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
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
US-20110162670-A1 Composition and Method for the Smoothing of Fibres Containing Keratin HENKEL AG & CO. KGAA (DE) 2011-07-07 US disclosed
US-20070267035-A1 Composition and Method for the Smoothing of Fibres Containing Keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-22 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 (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 MEN1 4070/4885KMT2A 464/4885FAAH 3659/4885
US-20140271750-A1 HAIR TREATMENT AGENTS CONTAINING 4-MORPHOLINO-METHYL-SUBSTITUTED SILICONE(S) AND CONDITIONING AGENT(S) BHMT2, MGMT, SMC3 MEN1 280/4885KMT2A 500/4885FAAH 4613/4885

“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.