SCHEMBL4398841

SCHEMBL4398841

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 8/20 0.48
ALPL P05186 7/20 0.48
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
XDH P47989 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
PLAA Q9Y263 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL31419971 0.85 ALPG (0.51) ALPGALPLCA12CA1CA2
SCHEMBL9768098 0.85 ALPG (0.51) ALPGALPLCA12CA1CA2
Hydrochloric Acid SCHEMBL10897263 0.84 ALPG (0.50) ALPGALPLCA12CA1CA2
Hydrochloric Acid SCHEMBL31419992 0.84 ALPG (0.50) ALPGALPLCA12CA1CA2
SCHEMBL4396491 0.80 POLB (0.50) HDAC6POLB
SCHEMBL4400331 0.78 PLOD2 (0.49) KDM4EMAPTMEN1KMT2A
SCHEMBL4400325 0.77 KMT2A (0.50) KDM4EGAAPOLBMAPTL3MBTL1
SCHEMBL11113598 0.76 ERCC1 (0.52) ALPGALPLCA1CA2HDAC6
Adrenalone SCHEMBL123124 0.76 ALPG (0.55) ALPGALPLCA12CA1CA2
Adrenalone SCHEMBL29550997 0.76 ALPG (0.55) ALPGALPLCA12CA1CA2

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 ALPG 4861/4885ALPL 3457/4885CA12 2330/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ALPG 4840/4885ALPL 2893/4885CA12 2138/4885

“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.