SCHEMBL3967930

SCHEMBL3967930

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 9/20 0.38
NPC1 O15118 1/20 0.38
LPAR1 Q92633 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
SCHEMBL3961311 0.97 POLB (0.45) POLBUSP2HSD17B10MEN1KMT2A
SCHEMBL3960100 0.83 PPARA (0.49) POLBUSP2HSD17B10
SCHEMBL3962739 0.80 PPARA (0.48) POLBUSP2HSD17B10BCHE
SCHEMBL4065936 0.80 PPARA (0.48) POLBUSP2HSD17B10BCHE
SCHEMBL3960796 0.80 TRPM8 (0.48) USP2HSD17B10MEN1KMT2ANPC1
SCHEMBL3959641 0.79 TRPM8 (0.46) USP2HSD17B10BCHELPAR1
SCHEMBL3967928 0.79 POLB (0.45) POLBUSP2HSD17B10CYP1A2CYP3A4
SCHEMBL3963237 0.78 USP2 (0.39) POLBUSP2HSD17B10
SCHEMBL3964921 0.78 USP2 (0.39) POLBUSP2HSD17B10
SCHEMBL3965290 0.78 USP2 (0.39) POLBUSP2HSD17B10

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-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
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG POLB 2597/4885USP2 3611/4885HSD17B10 187/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP POLB 4022/4885USP2 4267/4885HSD17B10 193/4885

“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.