SCHEMBL13311489

SCHEMBL13311489

O=C1[C@@H]2[C@H](C(=O)N1CCCN1C(=O)[C@@H]3[C@H](C1=O)[C@H]1CC[C@@H]3O1)[C@H]1CC[C@@H]2O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PPM1B O75688 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
PPP1CC P36873 1/20 0.45
TFPI2 P48307 1/20 0.45
PPP5C P53041 1/20 0.45
PPP1CA P62136 1/20 0.45
PMP22 Q01453 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17532421 1.00 ALDH1A1 (0.46) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL17532425 0.94 RAB9A (0.52) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL17532429 0.91 PPM1B (0.48) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL3494259 0.89 SMN1; SMN2 (0.51) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL3495647 0.86 CNR2 (0.53) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3496388 0.86 CNR2 (0.53) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13311412 0.84 PPM1B (0.55) ALDH1A1PPM1BRAB9AMEN1KMT2A
SCHEMBL13311393 0.84 PPM1B (0.43) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL3497073 0.84 PPM1B (0.42) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E
SCHEMBL13311367 0.84 L3MBTL1 (0.42) ALDH1A1PPM1BSMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C ALDH1A1 3457/4885PPM1B 30/4885SMN1; SMN2 3065/4885

“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.