SCHEMBL3047899

SCHEMBL3047899

CCC(OC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PPARA Q07869 5/20 0.33
PPARG P37231 4/20 0.33

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
SCHEMBL4464866 0.82 TSHR (0.42) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10711004 0.82 TSHR (0.42) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15196486 0.82 TSHR (0.42) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28023347 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18721846 0.80 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28266559 0.78 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9541723 0.78 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL1404146 0.78 KLK7 (0.38) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6129745 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7456354 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 US disclosed
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-19 US disclosed
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 US disclosed
CN-1053657-C Didepsipeptide-based endoparasiticidal compositions, novel depsipeptides and methods for their preparation BAYER AG (DE) 2000-06-21 CN disclosed
CN-1199394-A Didepsipeptide-based endoparasiticidal compositions, novel depsipeptides and methods for their preparation BAYER AG (DE) 1998-11-18 CN 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 (2 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-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same VIP, NGLY1, NPEPPS SMN1; SMN2 4170/4885CHRM1 4709/4885AKR1A1 4146/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS SMN1; SMN2 4028/4885CHRM1 4706/4885AKR1A1 4140/4885

“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.