SCHEMBL23680930

SCHEMBL23680930

CCCc1ccc(C2CC2OC(=O)[C@H](C)NC(=O)c2nccc(OC)c2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 2/20 0.33
GPR88 Q9GZN0 3/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL29501778 1.00 SLC6A3 (0.36) SLC6A3TAS1R3TAS1R1SMN1; SMN2HTT
SCHEMBL29047772 0.86 HTT (0.35) SMN1; SMN2HTTLMNA
SCHEMBL29501742 0.86 HTT (0.35) SMN1; SMN2HTTLMNA
SCHEMBL23680925 0.86 HTT (0.35) SMN1; SMN2HTTLMNA
SCHEMBL23680918 0.79 IDO1 (0.35) SLC6A3HTTLMNARAB9A
SCHEMBL23680931 0.79 NR3C2 (0.34) SLC6A3
SCHEMBL29501757 0.79 IDO1 (0.35) SLC6A3HTTLMNARAB9A
SCHEMBL29501811 0.79 NR3C2 (0.34) SLC6A3
SCHEMBL23650016 0.78 EGLN1 (0.39) ACACB
SCHEMBL23649986 0.76 MCHR1 (0.39) SMN1; SMN2ACACB

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-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 SLC6A3 3848/4885TAS1R3 675/4885TAS1R1 804/4885

“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.