SCHEMBL7122517

SCHEMBL7122517

O=C1c2ccc3ccccc3c2C(=O)c2ccc3ccccc3c21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.73
ALDH1A1 P00352 6/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CES1 P23141 3/20 0.52
HSD17B10 Q99714 2/20 0.50
HIF1A Q16665 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL16144669 0.96 DNMT1 (0.68) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29358121 0.94 DNMT1 (0.78) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29411157 0.94 DNMT1 (0.78) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29612224 0.94 DNMT1 (0.78) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL183078 0.94 DNMT1 (0.78) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9900718 0.93 DNMT1 (0.70) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19230419 0.93 DNMT1 (0.83) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12236188 0.91 DNMT1 (0.67) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19230420 0.91 DNMT1 (0.73) DNMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16144677 0.91 DNMT1 (0.80) DNMT1ALDH1A1MAPTMEN1KMT2A

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
EP-2649082-B1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2649082-B1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2649082-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2013-10-16 EP disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012076092-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed
WO-2012076092-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US disclosed
EP-0490862-B1 Process for producing n-phosphonomethylglycine MONSANTO CO (US) 1996-01-24 EP disclosed
EP-0490862-A1 Process for producing n-phosphonomethylglycine MONSANTO COMPANY (US) 1992-06-17 EP disclosed
US-5072033-A N-phosphonomethyl iminodiacetic acid oxidized with peroxide in the presence of cobalt or vandadium salt and quinone or deriv ative MONSANTO COMPANY (US) 1991-12-10 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 (1 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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 DNMT1 502/4885ALDH1A1 1216/4885MAPT 3245/4885

“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.