SCHEMBL17170448

SCHEMBL17170448

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCE1 Q9Y256 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 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
SCHEMBL17170433 0.91 TRPA1 (0.45) TRPA1MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL19928544 0.89 MAPT (0.38) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15892780 0.89 MAPT (0.41) TRPA1MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL7159471 0.87 SLC1A3 (0.43) TRPA1MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL14021052 0.87 SLC1A3 (0.43) TRPA1MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL22450259 0.85 MAPT (0.40) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL29752730 0.84 MAPT (0.39) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10438665 0.83 MAPT (0.37) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15892777 0.82 MAPT (0.40) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27532187 0.82 TRPA1 (0.39) TRPA1MAPTSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975911-B2 Antibacterial compounds and biological applications thereof MUTABILIS (FR) 2018-05-22 US disclosed
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF LABORATOIRE BIODIM (FR) 2015-10-15 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-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF C3AR1, CFH, MSR1 TRPA1 2693/4885MAPT 4880/4885SLC1A3 3566/4885

“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.