SCHEMBL7023482

SCHEMBL7023482

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.68
ADRB1 P08588 3/20 0.68
ADRB3 P13945 3/20 0.68
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX5 P09917 1/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8405253 0.92 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9589434 0.92 MAPT (0.66) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10439554 0.90 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2336328 0.89 ADRB2 (0.71) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11615833 0.86 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7092732 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL8446052 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL5663767 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9420451 0.82 ADRB2 (0.58) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9420493 0.82 ADRB2 (0.58) ADRB2ADRB1ADRB3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677542-B1 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PROD & CHEM (US) 1999-06-23 EP claimed
US-5719307-A INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-02-17 US claimed
EP-0677542-A2 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-18 EP claimed
US-20030212291-A1 Diamine curing agents for the preparation of polyurethane-urea elastomers CROMPTON CORPORATION 2003-11-13 US disclosed
EP-0677542-B1 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PROD & CHEM (US) 1999-06-23 EP disclosed
US-5719307-A INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-02-17 US disclosed
US-5719307-A INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-02-17 US disclosed
EP-0677542-A2 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-18 EP disclosed
EP-0677542-A2 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-18 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-20030212291-A1 Diamine curing agents for the preparation of polyurethane-urea elastomers AOC1, DDC, UROD ADRB2 2174/4885ADRB1 2254/4885ADRB3 2911/4885

“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.