SCHEMBL5141282

SCHEMBL5141282

COC(CCOc1ccc([N+](=O)[O-])cc1)OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KCNH2 Q12809 5/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
PTGS2 P35354 1/20 0.49
ACHE P22303 1/20 0.48
SLC6A4 P31645 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5519855 0.92 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL2564281 0.83 TDP1 (0.56) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL2072900 0.83 ALDH1A1 (0.54) MAPTCRHBPCRHR2KCNH2PTGS2
SCHEMBL31520919 0.82 CHRNB2 (0.62) MAPTL3MBTL1PTGS2ALDH1A1LMNA
SCHEMBL21104158 0.81 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL6138558 0.81 MAPT (0.57) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL21104434 0.81 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL6228523 0.80 MAPT (0.65) MAPTL3MBTL1KCNH2DRD2DRD4
SCHEMBL116052 0.80 MAPT (0.60) MAPTKCNH2DRD2DRD4DRD3
SCHEMBL13251238 0.79 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1KCNH2

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
EP-1976555-A2 DRUG-POLYMER CONJUGATES Pharmaessentia Corp. (TW) 2008-10-08 EP disclosed
US-20070185135-A1 Drug-Polymer Conjugates PHARMAESSENTIA CORP. 2007-08-09 US disclosed
WO-2007079404-A2 DRUG-POLYMER CONJUGATES PHARMAESSENTIA CORP. (TW) 2007-07-12 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-20070185135-A1 Drug-Polymer Conjugates LNPEP, MSN, ANPEP MAPT 1617/4885CRHBP 287/4885CRHR2 836/4885

“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.