SCHEMBL6943583

SCHEMBL6943583

O=C(OCc1ccccc1)Oc1cccc2[nH]nnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRD5A2 P31213 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL5526503 0.84 ELANE (0.32)
SCHEMBL44289 0.83 MAPT (0.33) HSD17B10SRD5A2POLBMAPTLMNA
Ethylene Glycol SCHEMBL4451270 0.81 MAPT (0.31) SRD5A2MAPTLMNA
SCHEMBL14690221 0.81 MAPT (0.32) POLBMAPTLMNA
SCHEMBL6945031 0.80 MMP1 (0.46) KMT2AMEN1HTTMMP2MMP9
SCHEMBL8693868 0.79 MAPT (0.49) SRD5A2MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3310042 0.79 ALDH1A1 (0.54) KMT2AHTTMMP2MMP9MMP12
SCHEMBL30855603 0.79 ALDH1A1 (0.54) KMT2AHTTMMP2MMP9MMP12
SCHEMBL44290 0.79 LMNA (0.35) KMT2AMEN1HTTSRD5A2POLB
SCHEMBL7565875 0.79 ELANE (0.36)

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-1170287-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORP (JP) 2003-12-03 EP disclosed
US-6617461-B2 Cyclizing an optically active 4-substituted amino-2-halobutyric acid containing substituted oxycarbonyl or sulfonyl type protective group in presence of a base KANEKA CORPORATION (JP) 2003-09-09 US disclosed
US-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids KANEKA CORPORATION (JP) 2003-03-06 US disclosed
EP-1170287-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORPORATION (JP) 2002-01-09 EP 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-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids NISCH, ADCY9, ALAD KMT2A 2398/4885MEN1 3225/4885HTT 963/4885

“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.