SCHEMBL16261997

SCHEMBL16261997

Nc1ccc(OCCCCCC(=O)Oc2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
GAA P10253 1/20 0.46
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 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
SCHEMBL16270210 0.93 L3MBTL1 (0.50) KMT2AGAAALDH1A1LMNAMAPT
SCHEMBL27142282 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL28724455 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL28723326 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL6868914 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL23272065 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL13292705 0.91 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL6866899 0.89 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL11956809 0.88 GAA (0.47) KMT2AGAAHDAC1HDAC2HDAC3
SCHEMBL10301416 0.86 KMT2A (0.47) KMT2APRSS1PRSS2PRSS3GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 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-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM KMT2A 4067/4885PRSS1 2171/4885PRSS2 1850/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM KMT2A 4067/4885PRSS1 2171/4885PRSS2 1850/4885

“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.