SCHEMBL6854482

SCHEMBL6854482

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
DRD3 P35462 2/20 0.41
PTGER4 P35408 1/20 0.40
RAB9A P51151 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL6861044 0.81 TDP1 (0.51) MAPTALDH1A1SRD5A1SRD5A2MAPK1
SCHEMBL6861924 0.81 CYP4F2 (0.57) CYP4F2CYP4A11MAPTALDH1A1RECQL
SCHEMBL6863568 0.80 CYP4F2 (0.47) CYP4F2CYP4A11MAPTALDH1A1CA12
SCHEMBL6855448 0.79 TTR (0.47) CYP4F2CYP4A11MAPTALDH1A1CA12
SCHEMBL6855454 0.79 TTR (0.47) CYP4F2CYP4A11MAPTALDH1A1CA12
Hydrochloric Acid SCHEMBL6863563 0.79 CYP4F2 (0.46) CYP4F2CYP4A11MAPTALDH1A1CA12
SCHEMBL16742240 0.76 MAPT (0.47) CYP4F2CYP4A11MAPTALDH1A1CA12
SCHEMBL8615030 0.75 DRD3 (0.47) CYP4F2CYP4A11MAPTALDH1A1CA12
SCHEMBL10366432 0.75 TDP1 (0.65) MAPTALDH1A1RECQLCA12CA1
SCHEMBL7630875 0.73 CA12 (0.46) CYP4F2CYP4A11MAPTALDH1A1RECQL

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 301/4885MAPT 4070/4885

“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.