SCHEMBL3959652

SCHEMBL3959652

CCCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)COc1ccc(C[C@](CC)(OCC)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
ALOX5 P09917 4/20 0.46
TSPO P30536 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
LTB4R Q15722 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3960798 0.93 TRPM8 (0.49) BCHETRPM8LPAR1LPAR2LTB4R2
SCHEMBL3964009 0.87 TRPM8 (0.47) TRPM8LTB4R2MEN1KMT2AUSP2
SCHEMBL3963030 0.86 TRPM8 (0.64) TRPM8ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL3967728 0.85 PPARG (0.45) TRPM8ALOX5
SCHEMBL3963799 0.81 RAB9A (0.63) TRPM8ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3967934 0.81 USP2 (0.44) BCHELPAR1LPAR2USP2HSD17B10
SCHEMBL3961377 0.80 TP53 (0.49) TRPM8ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3963788 0.79 TRPM8 (0.52) TRPM8LTB4R2ALDH1A1LMNASMN1; SMN2
SCHEMBL3963642 0.79 TRPM8 (0.53) TRPM8MAPT
SCHEMBL3960463 0.78 PPARD (0.44) TRPM8LTB4R2MAPTUSP2HSD17B10

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 BCHE 4358/4885TRPM8 2338/4885ALOX5 90/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP BCHE 2688/4885TRPM8 4071/4885ALOX5 590/4885

“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.