SCHEMBL16201805

SCHEMBL16201805

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP8 P22894 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
SRD5A2 P31213 2/20 0.36
PPARG P37231 3/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CNR1 P21554 1/20 0.34
HDAC1 Q13547 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL16201808 0.91 PSEN1 (0.37) MMP2MMP9MMP1MMP3MMP8
SCHEMBL15013642 0.84 RARB (0.47) MMP3
SCHEMBL16201789 0.84 SRD5A2 (0.40) MMP2MMP9MMP1MMP3MMP8
SCHEMBL16201790 0.77 DPP4 (0.39) MMP2MMP9MMP1MMP3MMP8
SCHEMBL15013828 0.75 S1PR2 (0.44) MMP3DPP4
SCHEMBL16201777 0.72 CNR2 (0.46) MMP2MMP9PPARGPPARADPP4
SCHEMBL27696370 0.72 ALDH1A1 (0.54) MMP2MMP9MMP1MMP3MMP8
SCHEMBL4932169 0.71 MMP12 (0.51) MMP2MMP9MMP12MMP13MMP14
SCHEMBL11827641 0.71 ALDH1A1 (0.48) MMP2MMP9MMP1MMP3MMP8
SCHEMBL5613518 0.71 MMP12 (0.54) MMP2MMP9HDAC1MMP12MMP13

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 MMP2 2841/4885MMP9 1151/4885MMP1 2624/4885

“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.