SCHEMBL6935112

SCHEMBL6935112

CCC(C)(C)ON=C(C(=O)OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.40
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
PRSS1 P07477 3/20 0.37
CTSG P08311 3/20 0.37
CTRB1 P17538 3/20 0.37
CMA1 P23946 3/20 0.37
SRC P12931 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HIF1A Q16665 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL6934141 0.88 CYP2D6 (0.43) SMN1; SMN2TSHRCYP2D6CYP1A2CYP2C19
SCHEMBL6932293 0.84 TSHR (0.44) SMN1; SMN2TSHRCYP1A2CYP2C19PRSS1
SCHEMBL28574555 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TSHRTDP1HIF1APOLB
SCHEMBL7457347 0.77 TSHR (0.50) SMN1; SMN2TSHRCYP2C19SRCTDP1
SCHEMBL27446293 0.77 TSHR (0.50) SMN1; SMN2TSHRCYP2C19SRCTDP1
SCHEMBL28945476 0.76 TBXAS1 (0.40) SMN1; SMN2CYP2D6CYP1A2CYP2C19POLB
SCHEMBL11455068 0.75 SMN1; SMN2 (0.36) SMN1; SMN2TSHRCYP1A2CYP2C19SRC
SCHEMBL11455069 0.75 SMN1; SMN2 (0.36) SMN1; SMN2TSHRCYP1A2CYP2C19SRC
SCHEMBL8766741 0.74 TSHR (0.43) SMN1; SMN2TSHRCYP2C19SRCTDP1
SCHEMBL6025156 0.72 SMN1; SMN2 (0.48) SMN1; SMN2TSHRPOLBKMT2AALDH1A1

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
EP-1200393-B1 OXIME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2003-12-10 EP disclosed
EP-1200393-A1 OXIME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY Monsanto Technology LLC (US) 2002-05-02 EP disclosed
US-20020045655-A1 Oxime amides and hydrazone amides having fungicidal activity MONSANTO TECHNOLOGY LLC. 2002-04-18 US disclosed
US-6359156-B1 CONTROLLING DISEASES IN CEREAL PLANTS MONSANTO TECHNOLOGY LLC 2002-03-19 US disclosed
US-6297271-B1 CONTROLLING TAKE-ALL DISEASE IN A PLANT MONSANTO TECHNOLOGY LLC 2001-10-02 US disclosed
WO-2001012590-A1 OXYME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2001-02-22 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 (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-20020045655-A1 Oxime amides and hydrazone amides having fungicidal activity AADAC, HAAO, OGA SMN1; SMN2 3016/4885TSHR 2113/4885CYP2D6 384/4885

“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.