SCHEMBL20519987

SCHEMBL20519987

CC1CC(=O)OCCC(Cc2ccccc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
ABCB1 P08183 3/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CTRB1 P17538 1/20 0.35
FASN P49327 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL7906013 0.79 MAOB (0.49) MAOBF2PRSS1DDB1CRBN
SCHEMBL7899581 0.79 MAOB (0.49) MAOBF2PRSS1DDB1CRBN
SCHEMBL3685687 0.79 MAOB (0.49) MAOBF2PRSS1DDB1CRBN
SCHEMBL21850372 0.76 GAA (0.43) MAOBF2PRSS1DDB1CRBN
SCHEMBL14159745 0.76 GAA (0.43) MAOBF2PRSS1DDB1CRBN
SCHEMBL8772735 0.75 GBA1 (0.46) MAOB
SCHEMBL14159890 0.70 MAOB (0.39) MAOBF2PRSS1DDB1CRBN
SCHEMBL14159746 0.70 MAOB (0.39) MAOBF2PRSS1DDB1CRBN
SCHEMBL14159784 0.70 MAOB (0.39) MAOBF2PRSS1DDB1CRBN
SCHEMBL14159750 0.70 MAOB (0.39) MAOBF2PRSS1DDB1CRBN

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-20180279615-A1 PYRIDINE DERIVATIVES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-10-04 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-20180279615-A1 PYRIDINE DERIVATIVES FOR COMBATING PHYTOPATHOGENIC FUNGI G6PD, NQO1, PNPO MAOB 206/4885F2 1904/4885PRSS1 2415/4885

“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.