SCHEMBL6863568

SCHEMBL6863568

CCOC(=O)c1ccc2c(c1)CCC(CN)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PTGER4 P35408 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
DRD3 P35462 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 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
Hydrochloric Acid SCHEMBL6863563 0.99 CYP4F2 (0.46) CYP4F2CYP4A11PTGER4MAPTMEN1
SCHEMBL6855344 0.84 ITGB3 (0.48) MAPTKMT2AITGB3ITGA2BDRD3
SCHEMBL10914904 0.83 MAPT (0.40) CYP4F2CYP4A11MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6855339 0.83 ITGB3 (0.48) MAPTKMT2AITGB3ITGA2BDRD3
SCHEMBL6860944 0.82 TDP1 (0.51) MAPTMEN1KMT2ACA2ITGB3
SCHEMBL6861924 0.81 CYP4F2 (0.57) CYP4F2CYP4A11PTGER4MAPTMEN1
Hydrochloric Acid SCHEMBL7492566 0.81 TDP1 (0.50) MAPTMEN1KMT2ACA2ITGB3
SCHEMBL6854482 0.80 CYP4F2 (0.46) CYP4F2CYP4A11PTGER4MAPTMEN1
SCHEMBL7490725 0.79 CYP4F2 (0.55) CYP4F2CYP4A11MEN1KMT2AITGB3
SCHEMBL6281542 0.79 FFAR4 (0.42) CA12CA1CA2CA9CA14

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 301/4885PTGER4 574/4885

“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.