SCHEMBL1412552

SCHEMBL1412552

COC(=O)c1nnn(Cc2ccc(OC)cc2)c1COC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
METAP2 P50579 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
P2RX3 P56373 1/20 0.39
KCNH2 Q12809 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1412571 0.92 ALOX15 (0.42) ALOX15L3MBTL1METAP2MEN1KMT2A
SCHEMBL1412577 0.85 AKR1C3 (0.41) ALOX15L3MBTL1METAP2ALDH1A1POLB
SCHEMBL1412603 0.81 NPC1 (0.39) ALOX15SMN1; SMN2METAP2MEN1KMT2A
SCHEMBL1412414 0.80 METAP2 (0.41) ALOX15L3MBTL1METAP2MEN1KMT2A
SCHEMBL23484362 0.76 ALOX15 (0.56) ALOX15L3MBTL1CYP1A2SMN1; SMN2MEN1
SCHEMBL1412461 0.76 ALOX15 (0.56) ALOX15L3MBTL1CYP1A2SMN1; SMN2MEN1
SCHEMBL1412507 0.76 NPC1 (0.39) ALOX15SMN1; SMN2METAP2MEN1KMT2A
SCHEMBL1412581 0.75 ALOX15 (0.50) ALOX15L3MBTL1CYP1A2SMN1; SMN2MEN1
SCHEMBL1412435 0.74 ALOX15 (0.58) ALOX15L3MBTL1CYP1A2SMN1; SMN2MEN1
SCHEMBL8321396 0.73 NPC1 (0.50) MEN1KMT2AKDM4EMAPTNPC1

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 ALOX15 2655/4885L3MBTL1 2350/4885CYP1A2 13/4885

“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.