SCHEMBL19985042

SCHEMBL19985042

CN(C(=O)CC1CCc2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
PPARD Q03181 3/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
FFAR1 O14842 3/20 0.37
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL19984920 0.82 MTNR1A (0.47) MTNR1AMTNR1BPPARDPRMT5WDR77
SCHEMBL191810 0.76 ALDH1A1 (0.50) ALDH1A1XBP1HTTPIN1
SCHEMBL19960654 0.76 ALDH1A1 (0.50) ALDH1A1XBP1HTTPIN1
SCHEMBL29496189 0.76 ALDH1A1 (0.50) ALDH1A1XBP1HTTPIN1
SCHEMBL19984886 0.73 PIN1 (0.41) ALDH1A1XBP1HTTPIN1
SCHEMBL14356155 0.72 MTNR1B (0.50) MTNR1AMTNR1BPPARDPRMT5WDR77
SCHEMBL6272803 0.72 MTNR1B (0.50) MTNR1AMTNR1BPPARDPRMT5WDR77
SCHEMBL30618514 0.72 CYP1A2 (0.47) MTNR1AMTNR1BALDH1A1PPARDPRMT5
SCHEMBL3348647 0.72 CYP1A2 (0.47) MTNR1AMTNR1BALDH1A1PPARDPRMT5
SCHEMBL1470470 0.72 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1PPARDPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 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 (2 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-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 MTNR1A 1155/4885MTNR1B 621/4885ALDH1A1 3543/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 MTNR1A 1155/4885MTNR1B 621/4885ALDH1A1 3543/4885

“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.