SCHEMBL3328592

SCHEMBL3328592

CC(C)([O])C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
NPC1 O15118 1/20 0.50
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
CA1 P00915 1/20 0.38
VCP P55072 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL31257844 0.81 APP (0.50) APPNPC1MTORRAB9AMAPT
SCHEMBL2183993 0.80 APP (0.55) APPNPC1MTORRAB9AMAPT
SCHEMBL562815 0.80 APP (0.55) APPNPC1MTORRAB9AMAPT
SCHEMBL487465 0.76 MAPT (0.56) APPNPC1MTORRAB9AMAPT
Bicarbonate SCHEMBL28540490 0.76 MAPT (0.51) APPNPC1MTORRAB9AMAPT
SCHEMBL10723498 0.74 MAPT (0.50) APPNPC1MTORRAB9AMAPT
SCHEMBL18561130 0.73 MAPT (0.53) APPMAPTKCNH2FFAR1
SCHEMBL9906153 0.73 MAPT (0.53) APPNPC1MTORRAB9AMAPT
SCHEMBL10518285 0.73 APP (0.46) APPNPC1MTORRAB9AMAPT
SCHEMBL12935540 0.73 MAPT (0.53) APPNPC1MTORRAB9AMAPT

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-2177519-B1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO (JP) 2015-05-27 EP disclosed
US-9029552-B2 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2015-05-12 US disclosed
US-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2014-01-02 US disclosed
EP-2669282-A1 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2013-12-04 EP disclosed
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2010-06-03 US disclosed
EP-2177519-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-04-21 EP 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-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, BROX, TTI2 APP 4343/4885NPC1 3388/4885MTOR 2120/4885
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, H1-10, HAX1 APP 4315/4885NPC1 2008/4885MTOR 3399/4885

“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.