SCHEMBL5129394

SCHEMBL5129394

COCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(OC)nc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.49
FFAR1 O14842 2/20 0.49
CTSA P10619 1/20 0.45
CHEK1 O14757 1/20 0.45
CHEK2 O96017 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
FAAH O00519 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL5128723 0.92 FFAR4 (0.49) FFAR4FFAR1CTSAHSD17B1HSD17B2
SCHEMBL4430471 0.91 FFAR4 (0.51) FFAR4FFAR1CTSAHSD17B1HSD17B2
SCHEMBL5051839 0.90 CTSA (0.46) FFAR4FFAR1CTSAHSD17B1HSD17B2
SCHEMBL4441540 0.88 HSD17B1 (0.51) FFAR4FFAR1CTSAHSD17B1HSD17B2
SCHEMBL5123906 0.87 FFAR1 (0.62) FFAR4FFAR1LMNATHRATHRB
SCHEMBL5126543 0.86 ACACA (0.44) FFAR4FFAR1CTSAHSD17B1HSD17B2
SCHEMBL5129447 0.84 FFAR4 (0.53) FFAR4FFAR1CHEK1CHEK2ACACB
SCHEMBL5128391 0.83 ROCK2 (0.45) FFAR4FFAR1CHEK1CHEK2ACACB
SCHEMBL5129232 0.83 PIK3CA (0.42) FFAR1CTSACHEK1CHEK2HSD17B1
SCHEMBL5123879 0.83 FFAR1 (0.57) FFAR4FFAR1ACACBACACALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD FFAR4 60/4885FFAR1 57/4885CTSA 722/4885

“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.