SCHEMBL3021935

SCHEMBL3021935

O=C(O)CNCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
NR4A2 P43354 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TBXAS1 P24557 10/20 0.48
TBXA2R P21731 1/20 0.48

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
SCHEMBL3675903 0.92 MTNR1A (0.57) MTNR1AMTNR1BTBXAS1TBXA2R
SCHEMBL7502446 0.81 TBXAS1 (0.53) TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL6004103 0.80 TBXAS1 (0.51) TBXAS1TBXA2R
SCHEMBL12781699 0.78 HPGD (0.60) NR4A2KDM4EMEN1CYP3A4MAPT
SCHEMBL1231801 0.77 MTNR1A (0.55) MTNR1AMTNR1BNR4A2KDM4EMEN1
SCHEMBL14396412 0.77 MTNR1A (0.51) MTNR1AMTNR1BMEN1KMT2ATDP1
SCHEMBL28439388 0.77 AKR1B1 (0.48) MEN1CYP3A4CES1MAPK1KMT2A
SCHEMBL2377776 0.76 TBXAS1 (0.73) MTNR1AMTNR1BNR4A2TBXAS1TBXA2R
SCHEMBL11114159 0.76 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL10470554 0.76 TBXAS1 (0.75) TBXAS1TBXA2R

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 8 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
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 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 1439/4885NR4A2 4244/4885

“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.