SCHEMBL831732

SCHEMBL831732

Nc1ccc(C(=O)O)c(OC(=O)c2cc(N)ccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 6/20 0.64
TDP1 Q9NUW8 4/20 0.64
CYP3A4 P08684 3/20 0.64
HSD17B10 Q99714 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 2/20 0.64
KDR P35968 2/20 0.64
MEN1 O00255 2/20 0.64
THRB P10828 2/20 0.64
RECQL P46063 2/20 0.64
PTGS2 P35354 2/20 0.64
CYP2C9 P11712 2/20 0.64
TNF P01375 1/20 0.64
HSPD1 P10809 1/20 0.64
ALOX15 P16050 1/20 0.64
CASP1 P29466 1/20 0.64
CYP2C19 P33261 1/20 0.64
BRCA1 P38398 1/20 0.64
CASP7 P55210 1/20 0.64

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
SCHEMBL3628199 0.89 ALDH1A1 (0.66) KDM4EALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL28188089 0.88 ALDH1A1 (0.64) KDM4EALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL3628204 0.84 ALDH1A1 (0.60) KDM4EALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL5601708 0.81 ALDH1A1 (0.64) KDM4EALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL29015053 0.81 ALDH1A1 (0.60) KDM4EALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL11107585 0.79 ESR1 (0.65) KDM4EALDH1A1HSD17B10HPGDPTGS2
Mesalamine SCHEMBL1967328 0.79 KDM4E (1.00) KDM4EALDH1A1TDP1CYP3A4HSD17B10
Mesalamine SCHEMBL29354798 0.79 KDM4E (1.00) KDM4EALDH1A1TDP1CYP3A4HSD17B10
Mesalamine SCHEMBL31297 0.79 KDM4E (1.00) KDM4EALDH1A1TDP1CYP3A4HSD17B10
Mesalamine SCHEMBL28077836 0.79 KDM4E (1.00) KDM4EALDH1A1TDP1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
EP-2298235-B1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2013-11-06 EP disclosed
US-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL, LLC (US) 2012-06-21 US disclosed
US-8143325-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2012-03-27 US disclosed
EP-2298235-A1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices Bezwada Biomedical LLC (US) 2011-03-23 EP disclosed
EP-1937182-B1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2010-12-15 EP disclosed
US-20100260702-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2010-10-14 US disclosed
US-7772352-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL LLC (US) 2010-08-10 US disclosed
EP-1937182-A4 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2009-07-15 EP disclosed
EP-1937182-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES Bezwada Biomedical LLC (US) 2008-07-02 EP disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
US-20060188547-A1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2006-08-24 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-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES HAO2, AOC2, AOC1 KDM4E 454/4885ALDH1A1 656/4885TDP1 3252/4885
US-20100260702-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES ALOX12, HAO2, ALOX15 KDM4E 288/4885ALDH1A1 219/4885TDP1 3248/4885

“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.