SCHEMBL16201789

SCHEMBL16201789

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP8 P22894 2/20 0.40
DPP4 P27487 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL16201790 0.90 DPP4 (0.39) SRD5A2MMP2MMP9MMP1MMP3
SCHEMBL4932169 0.86 MMP12 (0.51) MMP2MMP9MMP12MMP13MMP14
SCHEMBL16201805 0.84 MMP2 (0.39) SRD5A2MMP2MMP9MMP1MMP3
SCHEMBL16201808 0.77 PSEN1 (0.37) SRD5A2MMP2MMP9MMP1MMP3
SCHEMBL15013642 0.77 RARB (0.47) MMP3ALDH1A1MEN1KMT2A
SCHEMBL27696370 0.76 ALDH1A1 (0.54) SRD5A2MMP2MMP9MMP1MMP3
SCHEMBL11827641 0.75 ALDH1A1 (0.48) SRD5A2MMP2MMP9MMP1MMP3
SCHEMBL16201779 0.73 KIF11 (0.35)
SCHEMBL16201787 0.73 KIF11 (0.35)
SCHEMBL16201777 0.73 CNR2 (0.46) MMP2MMP9DPP4MMP12MMP13

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 SRD5A2 1489/4885MMP2 2841/4885MMP9 1151/4885

“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.