SCHEMBL13019358

SCHEMBL13019358

CC(C)Oc1ccccc1-c1nnco1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
NOTUM Q6P988 9/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR8 Q9NR97 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
PDK2 Q15119 1/20 0.39

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
SCHEMBL27493203 0.81 KMT2A (0.57) KMT2ANOTUMTSHRLMNAALDH1A1
SCHEMBL13019948 0.77 NOTUM (0.56) KMT2ANOTUMTSHRLMNANPC1
SCHEMBL12125033 0.77 LMNA (0.62) KMT2ANOTUMTSHRLMNANPC1
SCHEMBL28299256 0.75 NOTUM (0.53) KMT2ANOTUMTSHRLMNANPC1
SCHEMBL14084355 0.75 NOTUM (0.56) KMT2ANOTUMTSHRLMNANPC1
SCHEMBL31634047 0.74 IRAK4 (0.50) KMT2ATLR8ALDH1A1
SCHEMBL3632568 0.74 IRAK4 (0.50) KMT2ATLR8ALDH1A1
SCHEMBL16687201 0.74 NOTUM (0.43) KMT2ANOTUMTLR8PIM1PIM3
SCHEMBL3537329 0.72 NOTUM (0.61) KMT2ANOTUMTSHRLMNANPC1
SCHEMBL10835608 0.71 TSHR (0.61) KMT2ANOTUMTSHRLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 KMT2A 4054/4885NOTUM 610/4885TSHR 116/4885

“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.