SCHEMBL3164180

SCHEMBL3164180

CCOC(=O)C1(NC(=O)Cc2c(C)cc(I)cc2C)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
OPRM1 P35372 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
LATS1 O95835 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
CNR2 P34972 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2433657 0.85 L3MBTL1 (0.35) SMN1; SMN2PLAUPLATLATS1MEN1
SCHEMBL3757633 0.81 SMN1; SMN2 (0.37) SMN1; SMN2OPRM1PLAUPLATMEN1
SCHEMBL1153521 0.80 LPAR1 (0.36) PLAUPLATMEN1KMT2AMAPT
SCHEMBL9595748 0.80 MAPT (0.42) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL9595918 0.78 MAPT (0.40) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL15474383 0.78 SMN1; SMN2 (0.35) SMN1; SMN2OPRM1MEN1KMT2AL3MBTL1
SCHEMBL7949759 0.78 MAPT (0.40) MEN1KMT2AL3MBTL1MAPTCYP3A4
SCHEMBL7958068 0.78 MAPT (0.40) MEN1KMT2AL3MBTL1MAPTCYP3A4
SCHEMBL7950104 0.78 MAPT (0.40) MEN1KMT2AL3MBTL1MAPTCYP3A4
SCHEMBL8862538 0.77 POLB (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2

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 3 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-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 SMN1; SMN2 4632/4885OPRM1 3580/4885PLAU 4444/4885

“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.