SCHEMBL4657922

SCHEMBL4657922

CCOC(=O)C(C)CCc1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.45
BMP1 P13497 2/20 0.43
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 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
SCHEMBL4657111 0.90 HPGD (0.46) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4656843 0.85 ALDH1A1 (0.49) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4657807 0.84 ALDH1A1 (0.47) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4656789 0.83 L3MBTL1 (0.51) ALDH1A1MEN1KMT2AMAPK1TSHR
SCHEMBL11405338 0.79 MEN1 (0.46) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11404719 0.79 MEN1 (0.46) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL21438038 0.77 ALDH1A1 (0.51) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL16958303 0.76 ALDH1A1 (0.62) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4657814 0.75 ALDH1A1 (0.49) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL6108468 0.74 ALDH1A1 (0.60) ALDH1A1TDP1MAPTMEN1KMT2A

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-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
US-6737548-B2 REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US disclosed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 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-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ALDH1A1 159/4885TDP1 234/4885MAPT 1956/4885

“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.