SCHEMBL7095615

SCHEMBL7095615

COc1ccc(CCCCC(=O)O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.59
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
ALOX5 P09917 1/20 0.56
LDHA P00338 1/20 0.55
SELP P16109 1/20 0.55
PPARG P37231 1/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL7415347 0.98 PPARA (0.58) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL503571 0.95 PLAAT3 (0.61) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7156624 0.89 PLAAT3 (0.56) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL10599216 0.89 PPARA (0.50) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9175204 0.89 PPARA (0.58) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2221405 0.89 KDM4E (0.59) PPARAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL347209 0.88 FFAR4 (0.61) ALOX5LDHAKDM4EATMCA12
SCHEMBL7410835 0.88 GAA (0.65) ALOX5SELP
SCHEMBL7824983 0.88 ALOX5 (0.71) ALOX5
SCHEMBL12439701 0.88 HPGD (0.61) PPARAALOX5SELPPPARG

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 9 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
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PPARA 1137/4885PLAAT3 3933/4885PLAAT5 4342/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PPARA 1205/4885PLAAT3 4004/4885PLAAT5 4333/4885

“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.