SCHEMBL3961310

SCHEMBL3961310

CCCCCCCN(Cc1cccc(OC)c1OC)C(=O)COc1ccc(C[C@H](OCC)C(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
BCHE P06276 7/20 0.43
ACHE P22303 2/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NPC1 O15118 1/20 0.39
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PPARD Q03181 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3967928 0.97 POLB (0.45) POLBBCHEACHEUSP2HSD17B10
SCHEMBL4065936 0.93 PPARA (0.48) POLBBCHEACHEUSP2HSD17B10
SCHEMBL3962739 0.93 PPARA (0.48) POLBBCHEACHEUSP2HSD17B10
SCHEMBL3960100 0.89 PPARA (0.49) POLBUSP2HSD17B10PPARGPPARA
SCHEMBL3960794 0.83 TRPM8 (0.52) PPARGPPARALPAR1LPAR2PPARD
SCHEMBL3963233 0.82 HTR2A (0.42) USP2HSD17B10PPARGPPARAPPARD
SCHEMBL3965289 0.82 HTR2A (0.42) USP2HSD17B10PPARGPPARAPPARD
SCHEMBL3964918 0.82 HTR2A (0.42) USP2HSD17B10PPARGPPARAPPARD
SCHEMBL3961311 0.80 POLB (0.45) POLBBCHEACHEUSP2HSD17B10
SCHEMBL3967724 0.79 PPARA (0.46) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP POLB 4022/4885BCHE 2688/4885ACHE 4620/4885

“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.