SCHEMBL3822985

SCHEMBL3822985

COc1ccccc1NC(=S)Nc1ccccc1OC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.80
GAA P10253 3/20 0.75
ALDH1A1 P00352 2/20 0.75
HTT P42858 1/20 0.73
KMT2A Q03164 1/20 0.72
ALOX12 P18054 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 2/20 0.66
KDM4E B2RXH2 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64
MAPT P10636 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 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
SCHEMBL31388324 1.00 HPGD (0.80) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL17956756 0.91 GAA (0.71) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL17079608 0.91 ALDH1A1 (0.71) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL13299603 0.90 HPGD (0.68) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL25347923 0.89 HPGD (0.66) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL29488200 0.89 HPGD (0.66) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL458174 0.89 HPGD (0.66) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL25517519 0.87 HPGD (0.63) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL27720250 0.87 ALDH1A1 (0.73) HPGDGAAALDH1A1HTTKMT2A
SCHEMBL3129401 0.86 HPGD (0.66) HPGDGAAALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
EP-1479370-B1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same USA (US) 2009-07-08 EP disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-7169815-B2 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2007-01-30 US disclosed
EP-1280495-B1 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME US AGRICULTURE (US) 2006-11-22 EP disclosed
US-7053243-B2 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION (US) 2006-05-30 US disclosed
EP-1479370-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same The United States of America (US) 2004-11-24 EP disclosed
US-20040030188-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same SECRETARY OF AGRICULTURE 2004-02-12 US disclosed
US-6653505-B2 Oxidation resistance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-11-25 US disclosed
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-10-30 US disclosed
US-6586628-B2 Oxidation resistance THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-07-01 US disclosed
EP-1280495-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME Abbott, Thomas, P. (US) 2003-02-05 EP disclosed
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2002-10-10 US disclosed
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2001-12-27 US disclosed
WO-2001085681-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME THE FANNING CORPORATION (US) 2001-11-15 WO 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 (4 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-20040030188-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 HPGD 2107/4885GAA 1380/4885ALDH1A1 754/4885
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 HPGD 2107/4885GAA 1380/4885ALDH1A1 754/4885
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 HPGD 2107/4885GAA 1380/4885ALDH1A1 754/4885
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 HPGD 2107/4885GAA 1380/4885ALDH1A1 754/4885

“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.