SCHEMBL6855472

SCHEMBL6855472

O=Cc1ccc2c(c1)CCC(C(=O)O)O2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 10/20 0.43
CYP4A11 Q02928 10/20 0.43
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL6860906 0.88 CYP4F2 (0.42) CYP4F2CYP4A11PTGS2ALDH1A1HSD17B10
SCHEMBL8126109 0.83 CYP4F2 (0.39) CYP4F2CYP4A11PTGS2ALDH1A1HSD17B10
SCHEMBL7290410 0.80 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL4193774 0.80 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL16381954 0.80 ALDH1A1 (0.42) CYP4F2CYP4A11PTGS2ALDH1A1HSD17B10
SCHEMBL6861832 0.79 KDM4E (0.53) CYP4F2CYP4A11PPARGPPARAALDH1A1
SCHEMBL6861842 0.79 KDM4E (0.53) CYP4F2CYP4A11PPARGPPARAALDH1A1
SCHEMBL5846797 0.79 CYP4F2 (0.44) CYP4F2CYP4A11PPARGPPARAHSD17B10
SCHEMBL5847882 0.79 POLB (0.48) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL5152840 0.79 CYP4F2 (0.44) CYP4F2CYP4A11PPARGPPARANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797714-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION BAYER PHARMACEUTICALS CORPORATION 2004-09-28 US disclosed
US-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-01-16 US disclosed
US-6469031-B1 USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS HYPER-TRIGLYCERIDAEMIA, HYPERCHOLESTEROLAEMIA AND IN LOWERING HIGH DENSITY LIPOPROTEIN LEVELS AS WELL AS IN THE TREATMENT OF ATHEROSCLEROTIC, CARDIOVASCULAR AND DIABETIC CONDITIONS BAYER CORPORATION 2002-10-22 US disclosed
EP-1040106-B1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER AG (US) 2002-08-28 EP disclosed
EP-1040106-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-10-04 EP disclosed
WO-1999032476-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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 (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-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 CYP4F2 1328/4885CYP4A11 301/4885PPARG 500/4885

“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.