SCHEMBL16201808

SCHEMBL16201808

C#CCCCCCCCC(C(N)=O)C(O)CCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
DPP4 P27487 1/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 2/20 0.33
PPARG P37231 2/20 0.33
CNR1 P21554 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL16201805 0.91 MMP2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15013828 0.85 S1PR2 (0.44) DPP4MMP3MEN1KMT2A
SCHEMBL16201790 0.85 DPP4 (0.39) DPP4MMP1MMP2MMP3MMP9
SCHEMBL16201789 0.77 SRD5A2 (0.40) DPP4MMP1MMP2MMP3MMP9
SCHEMBL15013642 0.75 RARB (0.47) MMP3MEN1KMT2A
SCHEMBL16194598 0.74 CSNK1E (0.52) CYSLTR2CYSLTR1MMP3KMT2AFAAH
SCHEMBL16194597 0.74 CSNK1E (0.52) CYSLTR2CYSLTR1MMP3KMT2AFAAH
SCHEMBL16194341 0.73 ERAP1 (0.46) DPP4MMP2MMP9MEN1KMT2A
SCHEMBL16201815 0.73 ERAP1 (0.46) DPP4MMP2MMP9MEN1KMT2A
SCHEMBL16194340 0.73 ERAP1 (0.46) DPP4MMP2MMP9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP PSEN1 1803/4885PSEN2 2333/4885APH1B 349/4885

“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.