SCHEMBL16429355

SCHEMBL16429355

CCC[C@@H](C)C[C@H](O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.42
GRIK1 P39086 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL14662085 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL16429354 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL14661452 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL14661520 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL2231168 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL14661346 1.00 GPR84 (0.48) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL4530681 0.85 GPR84 (0.64) GPR84FFAR1GRIK1SLC1A2SLC1A1
SCHEMBL4529728 0.84 GPR84 (0.68) GPR84FFAR1GRIK1SLC1A2SLC1A1
SCHEMBL28482603 0.83 OR51E2 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL1782009 0.82 TSHR (0.42) GPR84FFAR1CHRM1AKR1A1CHRM3

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-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENT -RUN FÜR GESUNDHEIT UND (DE) 2015-02-05 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-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HAO1, HAAO, HAO2 GPR84 2235/4885FFAR1 197/4885CHRM1 2693/4885

“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.