SCHEMBL3021933

SCHEMBL3021933

CC(NCC(=O)O)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
ABAT P80404 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PTPRC P08575 2/20 0.44
CTSL P07711 1/20 0.44
PTPN13 Q12923 1/20 0.44
GAA P10253 1/20 0.44
NR4A2 P43354 1/20 0.44
CES1 P23141 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3675900 0.90 MTNR1A (0.41) MTNR1AMTNR1BITGB3ITGB1ITGAV
Hippuric Acid SCHEMBL7486 0.75 GAA (0.68) LMNAPOLBPTPRCCTSLPTPN13
SCHEMBL22030672 0.75 GAA (0.68) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL428479 0.75 GAA (0.68) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL1276160 0.74 KDM4E (0.67) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL15416338 0.74 MAPT (0.66) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL8165809 0.74 MAPT (0.66) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL21569381 0.74 MAPT (0.66) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL11709120 0.74 MAPT (0.66) LMNAPOLBPTPRCCTSLPTPN13
Hippuric Acid SCHEMBL11656206 0.74 MAPT (0.66) LMNAPOLBPTPRCCTSLPTPN13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 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 (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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR MTNR1A 1068/4885MTNR1B 1439/4885ITGB3 4845/4885

“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.