SCHEMBL4546207

SCHEMBL4546207

CC1(CC2CCCO2)NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 3/20 0.36
ADAM17 P78536 3/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ADAMTS5 Q9UNA0 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 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
SCHEMBL12137141 0.80 TSHR (0.38) TSHRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL18699737 0.77 HPGD (0.52) TSHRHSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL8957956 0.73 HSD11B1 (0.37) ALDH1A1ADAM17HPGDADAMTS5GAA
SCHEMBL4546208 0.69 TDP1 (0.32) TSHRHSD17B10
SCHEMBL15973472 0.66 SMN1; SMN2 (0.41) ALDH1A1ADAM17HPGDADAMTS5GAA
SCHEMBL16564672 0.66 TDP1 (0.35) ADAM17HPGDADAMTS5GAAMAPK1
SCHEMBL15974082 0.65 SMN1; SMN2 (0.40) ALDH1A1ADAM17ADAMTS5CYP1A2
SCHEMBL28639772 0.64 TSHR (0.37) TSHRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL542612 0.63 LMNA (0.48) TSHRALDH1A1ADAM17ADAMTS5KDM4E
SCHEMBL13209004 0.63 LMNA (0.48) TSHRALDH1A1ADAM17ADAMTS5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173697-B2 Alkoxyalkyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-8173697-B2 Alkoxyalkyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-8067458-B2 Alkoxyalkyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-8067458-B2 Alkoxyalkyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 US disclosed
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 US disclosed
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-09-24 US disclosed
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-09-24 US disclosed
WO-2007140881-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2007-12-13 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-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols DDT, AKR1D1, EBP TSHR 3964/4885HSD17B10 916/4885ALDH1A1 2870/4885
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS DDT, EBP, TET1 TSHR 3695/4885HSD17B10 892/4885ALDH1A1 3137/4885

“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.