SCHEMBL2856136

SCHEMBL2856136

CCCCCCCCCCCCCCC(C)C(=O)OCl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
ACE2 Q9BYF1 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.47
FAAH O00519 2/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR84 Q9NQS5 4/20 0.44
FDPS P14324 3/20 0.44
MAPT P10636 2/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL3081783 1.00 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28233476 1.00 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL27967468 0.92 CA1 (0.47) CA1ACE2ZDHHC7FDPS
SCHEMBL9547826 0.84 CA1 (0.35) CA1ACE2ZDHHC7FAAH
SCHEMBL27842678 0.84 CA1 (0.35) CA1ACE2ZDHHC7FAAH
SCHEMBL8052116 0.83 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL27321446 0.83 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL15754145 0.83 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8994069 0.83 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL9645822 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928402-B1 Carnitine derivative, salt thereof, external skin preparation and cosmetic preparation SHOWA DENKO KK (JP) 2014-03-12 EP disclosed
US-7842726-B2 Carnitine derivative, salt thereof, external skin preparation and cosmetic material SHOWA DENKO K.K. (JP) 2010-11-30 US disclosed
US-20100280111-A1 SKIN EXTERNAL PREPARATIONS AND COSMETICS SHOWA DENKO K.K. (JP) 2010-11-04 US disclosed
US-20100273877-A1 EMULSIFIED SKIN EXTERNAL PREPARATIONS AND COSMETICS SHOWA DENKO K.K. (JP) 2010-10-28 US disclosed
EP-2238970-A1 EMULSION PREPARATION FOR EXTERNAL APPLICATION TO SKIN AND COSMETIC PREPARATION Showa Denko K.K. (JP) 2010-10-13 EP disclosed
EP-2238969-A1 PREPARATION FOR EXTERNAL APPLICATION TO SKIN AND COSMETIC PREPARATION Showa Denko K.K. (JP) 2010-10-13 EP disclosed
US-20090234153-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO K.K. (JP) 2009-09-17 US disclosed
EP-1928402-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL Showa Denko K.K. (JP) 2008-06-11 EP disclosed
WO-2007043339-A9 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO KK (JP) 2007-06-07 WO disclosed
WO-2007043339-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO K.K. (JP) 2007-04-19 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 (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-20100273877-A1 EMULSIFIED SKIN EXTERNAL PREPARATIONS AND COSMETICS CUTA, CRAT, SLC25A20 CA1 3740/4885ACE2 4487/4885ZDHHC7 32/4885
US-20090234153-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL CRAT, CUTA, SLC25A20 CA1 2438/4885ACE2 3018/4885ZDHHC7 94/4885
US-20100280111-A1 SKIN EXTERNAL PREPARATIONS AND COSMETICS H1-0, H1-2, CUTA CA1 2091/4885ACE2 4723/4885ZDHHC7 31/4885

“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.