SCHEMBL4335588

SCHEMBL4335588

CCN(CCO)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1D1 P20393 4/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3031948 0.90 ALOX15 (0.41) HIF1AHPGDMAPK1ALOX15CA14
SCHEMBL23711054 0.90 CA12 (0.36) ALOX15CA14CA12CA1CA7
SCHEMBL1758843 0.90 ALOX15 (0.41) HIF1AHPGDMAPK1ALOX15CA14
SCHEMBL5972186 0.88 TDP1 (0.40) CA14CA12CA1CA7TDP1
SCHEMBL7567960 0.87 CHRM2 (0.37) ALOX15CA14CA12CA1CA7
SCHEMBL8412132 0.87 ALOX15 (0.42) HIF1AALOX15CA14CA12CA1
SCHEMBL1433039 0.86 OPRK1 (0.38) HPGDCA14CA12CA1CA7
SCHEMBL26035581 0.85 ALOX15 (0.33) HIF1AALOX15CA14CA12CA1
SCHEMBL19952793 0.84 TDP1 (0.45) HIF1AHSD17B10ALOX15CA1KDM4E
SCHEMBL7129262 0.82 TDP1 (0.47) HSD17B10ALOX15CA14CA12CA1

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-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT HIF1A 3272/4885CYP1A2 49/4885CYP2C9 477/4885

“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.