SCHEMBL3462858

SCHEMBL3462858

COC(=O)C(C)=CCCCCN

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.38
SLC6A5 Q9Y345 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
TET2 Q6N021 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
NFKB1 P19838 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
SCHEMBL3462857 1.00 PAOX (0.38) PAOXSLC6A5MAOAMAOBALDH1A1
SCHEMBL2064032 0.94 PAOX (0.35) PAOXALDH1A1CYP2D6CYP2C19
SCHEMBL3463543 0.94 PAOX (0.35) PAOXALDH1A1CYP2D6CYP2C19
SCHEMBL2063670 0.86 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19TET2EGLN1
SCHEMBL4919155 0.82 EP300 (0.47) CYP2C19LMNA
SCHEMBL18301068 0.81 EP300 (0.50) CYP2C19LMNA
SCHEMBL10991246 0.81 EP300 (0.50) CYP2C19LMNA
SCHEMBL3033834 0.81 EP300 (0.50) CYP2C19LMNA
SCHEMBL16583215 0.81 EP300 (0.50) CYP2C19LMNA
SCHEMBL3026657 0.81 EP300 (0.50) CYP2C19LMNA

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 PAOX 517/4885SLC6A5 3303/4885MAOA 1937/4885

“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.