SCHEMBL4092065

SCHEMBL4092065

CC(/N=C/c1ccc2ccccc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
ESR1 P03372 1/20 0.40
ESRRG P62508 1/20 0.40
ESR2 Q92731 1/20 0.40
DHODH Q02127 1/20 0.40
PPARA Q07869 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
SCHEMBL4092067 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1LMNAMEN1
SCHEMBL28883793 0.85 KDM4E (0.49) KDM4EALDH1A1L3MBTL1LMNAMEN1
SCHEMBL4091240 0.83 MAPT (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8667692 0.83 MAPT (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4091245 0.83 MAPT (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29033254 0.83 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1LMNAMEN1
SCHEMBL11374315 0.81 PTGS2 (0.40) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4111358 0.80 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1LMNAMEN1
SCHEMBL4111352 0.80 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1LMNAMEN1
SCHEMBL12865426 0.78 MIF (0.40) KDM4EALDH1A1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 KDM4E 161/4885ALDH1A1 1028/4885L3MBTL1 4317/4885

“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.