SCHEMBL3169396

SCHEMBL3169396

CCOC(=O)N1CCCCN1C(=O)Cc1c(C)cc(I)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CYP1A2 P05177 2/20 0.33
LPO P22079 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DTYMK P23919 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8950560 0.89 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL2430037 0.83 KMT2A (0.35) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL13527339 0.82 MEN1 (0.40) MEN1KMT2AL3MBTL1MAPK1HPGD
SCHEMBL3761042 0.79 LMNA (0.40) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL1152756 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP1A2MAPK1
SCHEMBL14335874 0.76 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL14405323 0.74 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL14405314 0.74 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL3169404 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL7778467 0.73 TSHR (0.47) ALDH1A1LMNAL3MBTL1KDM4ESMN1; SMN2

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
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 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-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols KCNE1, KCNH3, KCNH2 MEN1 3861/4885KMT2A 1203/4885ALDH1A1 3372/4885

“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.