SCHEMBL6421389

SCHEMBL6421389

CCCCOc1cc(C(C)=O)cc(OCCCC)c1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SLC6A5 Q9Y345 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA9 Q16790 1/20 0.42
SMPD1 P17405 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
SCHEMBL10497611 0.95 SMPD1 (0.48) TSHRL3MBTL1THRATHRBHPGD
SCHEMBL14068399 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL10497856 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL10497691 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL10497889 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL10498877 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL10498337 0.93 SMPD1 (0.50) THRATHRBHPGDSMPD1
SCHEMBL15680517 0.89 THRA (0.42) SLC6A5L3MBTL1GAATHRATHRB
SCHEMBL7995915 0.86 PLA2G2A (0.56) TSHRTHRATHRBHPGD
SCHEMBL6418870 0.84 THRA (0.46) TSHRSLC6A5THRATHRBMEN1

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
WO-2017006048-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2017-01-12 WO disclosed
US-20160137585-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2016-05-19 US disclosed
US-9181162-B2 Compositions and methods for glucose transport inhibition OHIO UNIVERSITY (US) 2015-11-10 US disclosed
US-8754052-B2 Treatment of nephrolithiasis and urolithiasis using 1,2,3,4,6-penta-O-galloyl-beta-D-glucose (PGG) MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-06-17 US disclosed
US-8513395-B2 Method for the synthesis of anthocyanins BIOSYNTH AS (NO) 2013-08-20 US disclosed
US-20120121536-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2012-05-17 US disclosed
WO-2009158487-A2 TREATMENT OF NEPHROLITHIASIS AND UROLITHIASIS USING 1,2,3,4,6-PENTA-O-GALLOYL-BETA-D-GLUCOSE (PGG) MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-12-30 WO disclosed
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2009-04-30 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP 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 (3 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-20160137585-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION SLC2A1, SLC2A4, SLC2A3 TSHR 3470/4885SLC6A5 556/4885L3MBTL1 2135/4885
US-20120121536-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION SLC2A1, SLC2A4, SLC2A3 TSHR 3470/4885SLC6A5 556/4885L3MBTL1 2135/4885
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS POR, SPR, G6PD TSHR 4373/4885SLC6A5 1930/4885L3MBTL1 4597/4885

“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.