SCHEMBL3815151

SCHEMBL3815151

COc1cccc(CNC(=O)NCc2cccc(OC)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HTT P42858 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MMP13 P45452 1/20 0.72
LMNA P02545 2/20 0.68
MEN1 O00255 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
ALOX15 P16050 1/20 0.68
GFER P55789 1/20 0.68
KMT2A Q03164 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HPGD P15428 3/20 0.65
POLB P06746 1/20 0.65
ROCK2 O75116 1/20 0.64
ANPEP P15144 1/20 0.64
EPHX2 P34913 2/20 0.63
KDM4E B2RXH2 1/20 0.63
USP2 O75604 1/20 0.63

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
SCHEMBL13853495 0.92 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL23771131 0.91 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL14088778 0.90 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL5759180 0.89 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL660541 0.88 MMP13 (0.70) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL2931410 0.88 MMP13 (0.70) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL17905725 0.87 EPHX2 (0.69) ALDH1A1HTTSMN1; SMN2MMP13EPHX2
SCHEMBL18175810 0.87 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL30104666 0.87 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2MMP13LMNA
Hydrochloric Acid SCHEMBL29194804 0.87 MMP13 (0.68) ALDH1A1HTTSMN1; SMN2MMP13LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479370-B1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same USA (US) 2009-07-08 EP 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 ALDH1A1 754/4885HTT 1952/4885SMN1; SMN2 2443/4885
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885HTT 1952/4885SMN1; SMN2 2443/4885
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885HTT 1952/4885SMN1; SMN2 2443/4885
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 ALDH1A1 754/4885HTT 1952/4885SMN1; SMN2 2443/4885

“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.