SCHEMBL676549

SCHEMBL676549

CCCC(O)C(CCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.39
GRIK1 P39086 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL48780 0.89 CA2 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28954259 0.89 CA2 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28646109 0.89 TDP1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1716610 0.88 TDP1 (0.54) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3700076 0.88 TDP1 (0.54) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13986496 0.88 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9636422 0.88 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1000793 0.88 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6630920 0.86 CHRM1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL21550304 0.85 GPR84 (0.59) GPR84FFAR1LMNACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY 2011-11-10 US claimed
WO-2010039865-A2 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY (US) 2010-04-08 WO claimed
US-9861096-B2 Biodegradable chemical delivery system CORNELL UNIVERSITY (US) 2018-01-09 US disclosed
US-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY 2011-11-10 US disclosed
WO-2010039865-A2 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY (US) 2010-04-08 WO disclosed
EP-0614741-B1 Method of making an elongate component and injection mold assembly for making the same MCNEIL PPC INC (US) 1997-12-03 EP disclosed
EP-0614741-A1 Improved injection molded product and method McNEIL-PPC, INC. (US) 1994-09-14 EP 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-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM FAU, DDT, PFAS TDP1 3910/4885CHRM1 822/4885AKR1A1 4549/4885

“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.