SCHEMBL19628392

SCHEMBL19628392

CC(C)[C@@H](COCC=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.37
RCE1 Q9Y256 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CTSB P07858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL19628373 0.85 MAPT (0.39) MAPTMEN1KMT2ACYP2C19CYP2C9
SCHEMBL19614767 0.82 LTA4H (0.41) MEN1KMT2ARCE1HTTALDH1A1
SCHEMBL19614764 0.82 LTA4H (0.41) MEN1KMT2ARCE1HTTALDH1A1
SCHEMBL19633669 0.82 LTA4H (0.41) MEN1KMT2ARCE1HTTALDH1A1
SCHEMBL16177521 0.81 SLC1A3 (0.41) MAPTSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL22490419 0.81 SLC1A3 (0.42) MAPTSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL22490420 0.81 SLC1A3 (0.42) MAPTSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7949742 0.77 TSHR (0.42) MAPTSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL18747098 0.75 TSHR (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL76044 0.74 TSHR (0.61) KMT2ATSHRALDH1A1

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-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 MAPT 1596/4885SLC1A3 1688/4885SLC1A2 1077/4885

“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.