SCHEMBL2894772

SCHEMBL2894772

CCCCC(CC)CC(CCCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 4/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CPB2 Q96IY4 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 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
SCHEMBL28973531 0.93 CA2 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL26622845 0.86 CA2 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL6239517 0.85 CA2 (0.46) CA2CA1CYP3A4TSHRTDP1
SCHEMBL183036 0.84 CYP3A4 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL25236891 0.83 CYP3A4 (0.55) CA2CA1CYP3A4TSHRTDP1
SCHEMBL28830574 0.83 CA2 (0.45) CA2CA1CYP3A4TSHRTDP1
SCHEMBL25235809 0.83 CYP3A4 (0.55) CA2CA1CYP3A4TSHRTDP1
SCHEMBL2440937 0.83 CYP3A4 (0.55) CA2CA1CYP3A4TSHRTDP1
SCHEMBL29002875 0.83 CA2 (0.45) CA2CA1CYP3A4TSHRTDP1
SCHEMBL25236063 0.83 CYP3A4 (0.55) CA2CA1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage SYMRISE GMBH & CO. KG (DE) 2010-11-11 US disclosed
EP-1816998-A1 FORMULATIONS COMPRISING CERAMIDES AND/OR PSEUDOCERAMIDES AND (ALPHA-)BISABOLOL FOR COMBATING SKIN DAMAGE Symrise GmbH & Co. KG (DE) 2007-08-15 EP disclosed
WO-2006053912-A1 FORMULATIONS COMPRISING CERAMIDES AND/OR PSEUDOCERAMIDES AND (ALPHA-)BISABOLOL FOR COMBATING SKIN DAMAGE SYMRISE GMBH & CO. KG (DE) 2006-05-26 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 (1 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-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage CERT1, CERS2, SGMS1 CA2 1247/4885CA1 2143/4885CYP3A4 3628/4885

“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.