SCHEMBL3169404

SCHEMBL3169404

CCOC(=O)N1CCCCN1C(=O)C(C)c1ccc(I)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2966536 0.76 DRD2 (0.42) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3169396 0.74 MEN1 (0.35) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL7778467 0.69 TSHR (0.47) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL16463001 0.68 OPRM1 (0.36) MEN1KMT2ATSHROPRM1SMN1; SMN2
SCHEMBL9727251 0.65 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL16672742 0.64 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL1744701 0.63 CA12 (0.47) KMT2ATSHRSMN1; SMN2GAA
SCHEMBL7779646 0.63 TSHR (0.41) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL8950560 0.63 MEN1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8626625 0.62 TSHR (0.40) MEN1KMT2ALMNATSHROPRM1

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-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
CN-101056852-B Iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2013-05-01 CN disclosed
CN-101696184-A iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-04-21 CN disclosed
CN-101696197-A Iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-04-21 CN disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
CN-101056852-A Iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-17 CN 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-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols KCNE1, KCNH3, KCNH2 MEN1 3861/4885KMT2A 1203/4885NPSR1 3001/4885

“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.