SCHEMBL16270236

SCHEMBL16270236

N#COc1ccc(OCCCCCC(=O)Oc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ HDAC3 O15379 4/20 0.35
▸ HDAC4 P56524 4/20 0.35
▸ HDAC7 Q8WUI4 4/20 0.35
▸ HDAC10 Q969S8 4/20 0.35
▸ HDAC11 Q96DB2 4/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC9 Q9UKV0 4/20 0.35
▸ HDAC5 Q9UQL6 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ ACR P10323 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16262380 0.91 KMT2A (0.49) KMT2AHDAC1HDAC2PRSS1PRSS2
SCHEMBL16270246 0.88 HDAC1 (0.38) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL15726604 0.87 KMT2A (0.44) KMT2APRSS1PRSS2PRSS3ESR1
SCHEMBL16270209 0.83 L3MBTL1 (0.47) KMT2AHDAC1HDAC2MMP3ESR1
SCHEMBL31338732 0.82 GAA (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14802443 0.82 PRSS1 (0.37) KMT2APRSS1PRSS2PRSS3ESR1
SCHEMBL15726640 0.81 KMT2A (0.38) KMT2APRSS1PRSS2PRSS3GAA
SCHEMBL9964592 0.80 CYP3A4 (0.39) GAASMN1; SMN2CYP1A2
SCHEMBL15726670 0.80 CYP3A4 (0.35) KMT2AGAA
SCHEMBL11956764 0.80 CYP3A4 (0.37) KMT2AGAA

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-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-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 4067/4885HDAC1 2694/4885HDAC2 3131/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM KMT2A 4067/4885HDAC1 2694/4885HDAC2 3131/4885

“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.

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