SCHEMBL7094538

SCHEMBL7094538

NC(=O)c1cc(C2CO2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
FOLH1 Q04609 1/20 0.46
HTT P42858 2/20 0.45
PRMT5 O14744 1/20 0.45
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LRRK2 Q5S007 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SGMS2 Q8NHU3 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PARP10 Q53GL7 1/20 0.42
APP P05067 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
SCHEMBL3987261 1.00 PARP1 (0.48) PARP1FOLH1HTTPRMT5LMNA
SCHEMBL9574268 0.90 FOLH1 (0.58) FOLH1PRMT5ALDH1A1LRRK2KDM4E
SCHEMBL964386 0.85 PRMT5 (0.47) FOLH1PRMT5LMNAALDH1A1LRRK2
SCHEMBL13708416 0.85 PRMT5 (0.47) FOLH1PRMT5LMNAALDH1A1LRRK2
SCHEMBL4872395 0.85 PRMT5 (0.47) FOLH1PRMT5LMNAALDH1A1LRRK2
SCHEMBL4370495 0.81 PDE4A (0.47) PRMT5POLBL3MBTL1KMT2AAPP
SCHEMBL2078714 0.80 DRD3 (0.66) LRRK2
SCHEMBL321453 0.78 PARP1 (0.57) PARP1FOLH1HTTLMNASIRT2
SCHEMBL7146977 0.78 ELANE (0.47) HTTLMNAALDH1A1APP
SCHEMBL10464043 0.78 S1PR5 (0.48) PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PARP1 2993/4885FOLH1 1321/4885HTT 1613/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PARP1 2897/4885FOLH1 1514/4885HTT 1194/4885

“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.