SCHEMBL5430015

SCHEMBL5430015

CC(=O)OCc1cccc(CCO)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
CYP4F2 P78329 6/20 0.53
CYP4A11 Q02928 6/20 0.53
CYP3A4 P08684 1/20 0.47
IDH1 O75874 1/20 0.43
MIF P14174 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKDC P78527 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6709375 0.89 ALDH1A1 (0.73) ALDH1A1CYP3A4IDH1MIFTDP1
SCHEMBL1992145 0.86 CYP4F2 (0.53) ALDH1A1CYP4F2CYP4A11ACMSDTDP1
SCHEMBL22678650 0.86 ALDH1A1 (0.70) ALDH1A1CYP3A4IDH1TDP1
SCHEMBL1560391 0.86 CYP4F2 (0.53) ALDH1A1CYP4F2CYP4A11ACMSDTDP1
SCHEMBL6696949 0.86 ALDH1A1 (0.59) ALDH1A1CYP4F2CYP4A11CYP3A4IDH1
SCHEMBL7671543 0.86 ALDH1A1 (0.63) ALDH1A1CYP4F2CYP4A11CYP3A4IDH1
SCHEMBL5437580 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4IDH1MIFTDP1
SCHEMBL801397 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL7671540 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL16154053 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFTDP1

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-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 ALDH1A1 1056/4885CYP4F2 278/4885CYP4A11 163/4885

“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.