SCHEMBL4400325

SCHEMBL4400325

CC(C)(CO)NCC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PTPN1 P18031 2/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 7/20 0.44
AGTR1 P30556 3/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL10788888 0.83 KMT2A (0.56) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL4400331 0.83 PLOD2 (0.49) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Hydrochloric Acid SCHEMBL28169360 0.81 KMT2A (0.54) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL4397431 0.81 HTT (0.47) KMT2AHPGDSMN1; SMN2MEN1MAPT
SCHEMBL15748713 0.80 KMT2A (0.52) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL11131379 0.78 NAAA (0.48) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
Bromide SCHEMBL11136046 0.78 DPP4 (0.43) KMT2AHPGDSMN1; SMN2MEN1CYP3A4
SCHEMBL4394375 0.77 PTPN1 (0.49) KMT2AMEN1TDP1ALOX15CES1
SCHEMBL4398841 0.77 ALPG (0.48) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL6358201 0.76 NPC1 (0.49) KMT2AHPGDSMN1; SMN2MEN1CYP3A4

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 KMT2A 2775/4885HPGD 848/4885SMN1; SMN2 2465/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 KMT2A 3189/4885HPGD 703/4885SMN1; SMN2 2387/4885

“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.