SCHEMBL3463575

SCHEMBL3463575

CCOC(=O)/C(C)=C/CCCNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 2/20 0.45
GLO1 Q04760 1/20 0.36
NMT2 O60551 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NMT1 P30419 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
FAAH O00519 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3463579 1.00 CYP2D6 (0.45) CYP2D6CYP2C19GLO1NMT2ADRB2
SCHEMBL3868755 0.78 KDM4E (0.38) CYP2D6CYP2C19ALDH1A1SMN1; SMN2NPSR1
SCHEMBL638324 0.78 KDM4E (0.38) CYP2D6CYP2C19ALDH1A1SMN1; SMN2NPSR1
SCHEMBL3464354 0.78 CYP2D6 (0.42) CYP2D6CYP2C19GLO1NMT2ADRB2
SCHEMBL3464355 0.78 CYP2D6 (0.42) CYP2D6CYP2C19GLO1NMT2ADRB2
SCHEMBL22874083 0.78 CYP2D6 (0.49) CYP2D6CYP2C19GLO1MAPTALDH1A1
SCHEMBL374982 0.78 CYP2D6 (0.49) CYP2D6CYP2C19GLO1MAPTALDH1A1
SCHEMBL27535562 0.78 CYP2D6 (0.47) CYP2D6CYP2C19GLO1MAPTALDH1A1
SCHEMBL1055045 0.77 ARG1 (0.32) CYP2D6CYP2C19MAPTALDH1A1SMN1; SMN2
SCHEMBL23794726 0.76 CYP2D6 (0.48) CYP2D6CYP2C19GLO1MAPTALDH1A1

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
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 US claimed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 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 (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-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FFAR3, FFAR2, BCAT1 CYP2D6 507/4885CYP2C19 1923/4885GLO1 1969/4885

“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.