SCHEMBL3404716

SCHEMBL3404716

CC(O)CCCCOC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 5/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
BCHE P06276 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL3404710 1.00 ADRB2 (0.56) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL18726389 0.99 ADRB2 (0.55) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL18725919 0.99 ADRB2 (0.55) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL16179183 0.90 ADRB2 (0.54) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL16179182 0.90 ADRB2 (0.54) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL18725920 0.90 ADRB2 (0.54) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL28454936 0.89 L3MBTL1 (0.55) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL23926228 0.87 TDP1 (0.56) MAPTPKMALDH1A1
SCHEMBL7074293 0.87 MEN1 (0.68) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL20083891 0.86 ATM (0.58) ADRB2ADRB1ADRB3L3MBTL1ATM

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
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US disclosed
EP-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT ADRB2 9/4885ADRB1 18/4885ADRB3 28/4885

“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.