SCHEMBL669428

SCHEMBL669428

COc1ccc(C2CC2(C#N)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL671693 0.82 GAA (0.43) GAARAB9AMEN1KMT2ALMNA
SCHEMBL669219 0.81 MAPK1 (0.44)
SCHEMBL11880622 0.79 NPC1 (0.41) RAB9AMEN1KMT2ACYP2C9HPGD
SCHEMBL31414038 0.76 MEN1 (0.49) RAB9AMEN1KMT2AEDNRAEDNRB
SCHEMBL15960825 0.75 MAPT (0.43) MEN1KMT2ATSHRMAPT
SCHEMBL28610228 0.74 GAA (0.47) GAARAB9AMEN1KMT2ABLM
Bicarbonate SCHEMBL10974641 0.74 MEN1 (0.50) RAB9AMEN1KMT2AEDNRAEDNRB
SCHEMBL29776873 0.73 MEN1 (0.46) RAB9AMEN1KMT2AEDNRAEDNRB
SCHEMBL7070199 0.72 KMT2A (0.45) GAARAB9AMEN1KMT2AEDNRA
SCHEMBL28928266 0.71 KMT2A (0.44) GAARAB9AMEN1KMT2AEDNRA

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA GAA 1559/4885RAB9A 4800/4885MEN1 3325/4885

“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.