SCHEMBL1412414

SCHEMBL1412414

COc1ccc(Cn2nnc(COC3CCCCO3)c2C(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.41
AKR1C3 P42330 9/20 0.39
PDE8B O95263 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C2 P52895 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1412577 0.92 AKR1C3 (0.41) METAP2AKR1C3PDE8BNPC1RAB9A
SCHEMBL1412571 0.85 ALOX15 (0.42) METAP2AKR1C3PDE8BCNR2NPC1
SCHEMBL1412507 0.82 NPC1 (0.39) METAP2AKR1C3PDE8BCNR2NPC1
SCHEMBL1412552 0.80 ALOX15 (0.43) METAP2AKR1C3NPC1RAB9AALOX15
SCHEMBL1412545 0.77 PDE8B (0.50) AKR1C3PDE8BALOX15L3MBTL1AKR1C2
SCHEMBL1412603 0.76 NPC1 (0.39) METAP2AKR1C3CNR2NPC1RAB9A
SCHEMBL1412463 0.74 PDE8B (0.44) AKR1C3PDE8BALOX15L3MBTL1AKR1C2
SCHEMBL8321396 0.74 NPC1 (0.50) NPC1RAB9AICAM1SELEMEN1
SCHEMBL24569973 0.71 NPC1 (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28491918 0.70 NPC1 (0.41) NPC1RAB9AICAM1SELEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 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-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 METAP2 3914/4885AKR1C3 340/4885PDE8B 1342/4885

“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.