SCHEMBL6860906

SCHEMBL6860906

NC(=O)C1CCc2cc(C=O)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.42
CYP4A11 Q02928 5/20 0.42
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PTGS2 P35354 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL8126109 0.95 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1HSD17B10TDP1
SCHEMBL6855472 0.88 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1HSD17B10TDP1
SCHEMBL4672067 0.80 CYP4F2 (0.45) CYP4F2CYP4A11HSD17B10ITGB3ITGA2B
SCHEMBL5839879 0.80 ESR1 (0.56) CYP4F2CYP4A11ITGB3ITGA2BHDAC3
SCHEMBL16381954 0.80 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1HSD17B10TDP1
SCHEMBL1064265 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1HDAC3HDAC1
SCHEMBL6028281 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ITGB3ITGA2BHDAC3
SCHEMBL26413056 0.79 MLNR (0.50) CYP4F2CYP4A11ALDH1A1HDAC3HDAC1
SCHEMBL430182 0.79 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1HSD17B10ITGB3
SCHEMBL15447468 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ITGB3ITGA2BHDAC3

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 4 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

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 301/4885ALDH1A1 1345/4885

“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.