SCHEMBL2823201

SCHEMBL2823201

CCCC(C(=O)O)C(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
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
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
GRIK1 P39086 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL28023458 0.87 CA2 (0.47) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL28022735 0.84 GPR84 (0.52) TDP1ALDH1A1ACE2
SCHEMBL28022723 0.84 GPR84 (0.52) TDP1ALDH1A1ACE2
SCHEMBL8602831 0.81 TDP1 (0.42) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL5048589 0.78 CHRM1 (0.52) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL31607 0.77 HDAC1 (0.63) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL10886321 0.76 HDAC1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL11683234 0.76 TDP1 (0.42) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL17061404 0.76 CHRM1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL27823379 0.76 TDP1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1

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
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed
EP-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed
EP-1559321-A1 MIXED COMPOSITIONS FOR CONTROLLING PARASITIC INSECTS MEIJI SEIKA KAISHA LTD. (JP) 2005-08-03 EP disclosed
US-20040087618-A1 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2004-05-06 US disclosed
EP-1386914-A1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA LTD. (JP) 2004-02-04 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-20040087618-A1 Halogen-substituted quinoline derivatives and ectoparasite control agent ATL3, RABL3, RAB5C TDP1 3870/4885HDAC1 2069/4885HDAC2 1536/4885

“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.