SCHEMBL4394358

SCHEMBL4394358

CC(CO)NC(C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
DBH P09172 1/20 0.57
RECQL P46063 1/20 0.57
HDAC6 Q9UBN7 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
XDH P47989 1/20 0.45
TOP1 P11387 3/20 0.44
MAPT P10636 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
POLB P06746 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL4393582 0.84 KDM4E (0.53) KDM4EGAADBHRECQLHDAC6
Phenisonone SCHEMBL2107796 0.83 KDM4E (0.65) KDM4EGAADBHRECQLHDAC6
Phenisonone SCHEMBL11289981 0.82 KDM4E (0.62) KDM4EGAADBHRECQLHDAC6
Hydrochloric Acid SCHEMBL11694725 0.80 KDM4E (0.49) KDM4EGAADBHRECQLHDAC6
Bromide SCHEMBL11689029 0.80 KDM4E (0.49) KDM4EGAADBHRECQLHDAC6
SCHEMBL4394472 0.79 CA12 (0.41) KDM4ECA12CA1CA2CA7
SCHEMBL9768253 0.78 KDM4E (0.61) KDM4EGAADBHRECQLHDAC6
SCHEMBL4393402 0.77 PGR (0.46) KDM4EGAAMAPTL3MBTL1
SCHEMBL4393537 0.76 CYP2B6 (0.63) MAPTSLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL2958909 0.74 SLC6A3 (0.57) HDAC6SLC6A2SLC6A3CHRNA1CHRNG

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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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 (2 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 KDM4E 3730/4885GAA 4395/4885DBH 83/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 KDM4E 4330/4885GAA 3972/4885DBH 84/4885

“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.