SCHEMBL5774507

SCHEMBL5774507

CC(=O)C(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.53
PPARA Q07869 12/20 0.53
LDHA P00338 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACACB O00763 1/20 0.46
EPHX2 P34913 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL3773871 0.94 SLC6A2 (0.52) PPARGPPARALDHASLC6A2SLC6A3
SCHEMBL15454448 0.92 SLC6A2 (0.50) PPARGPPARALDHASLC6A2SLC6A3
SCHEMBL6712771 0.88 PPARG (0.59) PPARGPPARALDHASLC6A2SLC6A3
SCHEMBL9317096 0.85 LDHA (0.52) LDHAACACB
SCHEMBL3778897 0.84 ACACB (0.43) PPARGPPARALDHASLC6A2SLC6A3
SCHEMBL10756180 0.82 SLC7A5 (0.63) LDHASLC6A2
SCHEMBL9833991 0.82 ALPI (0.61) LDHA
SCHEMBL27300438 0.82 ALPI (0.61) LDHA
SCHEMBL1532407 0.82 ALPI (0.61) LDHA
SCHEMBL901733 0.81 EPHX2 (0.50) PPARGPPARAACACBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116287032-A Method for preparing 3-oxo-ethyl butyrate derivative by reacting aromatic aldehyde with ethyl acetoacetate under enzyme catalysis 岭南师范学院 2023-06-23 CN disclosed
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR PPARG 729/4885PPARA 620/4885LDHA 3434/4885

“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.