SCHEMBL6855448

SCHEMBL6855448

CCOC(=O)/C=C/c1ccc2c(c1)CCC(C#N)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
FDPS P14324 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL6855454 1.00 TTR (0.47) TTRDPP4ALOX5ALDH1A1KDM4E
SCHEMBL338476 0.77 TTR (0.56) TTRDPP4ALOX5ALDH1A1KDM4E
SCHEMBL2871517 0.77 TTR (0.56) TTRDPP4ALOX5ALDH1A1KDM4E
SCHEMBL847088 0.73 ALOX5 (0.52) TTRDPP4ALOX5ALDH1A1KDM4E
SCHEMBL847089 0.73 ALOX5 (0.52) TTRDPP4ALOX5ALDH1A1KDM4E
SCHEMBL22516607 0.73 TTR (0.53) TTRDPP4ALOX5CA12CA1
SCHEMBL9192945 0.72 TTR (0.52) TTRDPP4ALOX5CA12CA1
SCHEMBL9196820 0.72 TTR (0.52) TTRDPP4ALOX5CA12CA1
SCHEMBL9193730 0.72 TTR (0.52) TTRDPP4ALOX5CA12CA1
SCHEMBL18214360 0.71 TTR (0.61) TTRDPP4ALOX5ALDH1A1CA12

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-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

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 TTR 3801/4885DPP4 1480/4885ALOX5 2901/4885

“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.