SCHEMBL4657111

SCHEMBL4657111

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
BMP1 P13497 2/20 0.46
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
KAT2B Q92831 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4657922 0.90 ALDH1A1 (0.45) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL4656843 0.85 ALDH1A1 (0.49) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL4657807 0.84 ALDH1A1 (0.47) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL4659007 0.81 ALDH1A1 (0.55) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4657814 0.75 ALDH1A1 (0.49) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL6108468 0.74 ALDH1A1 (0.60) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL7258072 0.74 KMT2A (0.51) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL11405338 0.73 MEN1 (0.46) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL11404719 0.73 MEN1 (0.46) HPGDPOLBBMP1ALDH1A1TDP1
SCHEMBL16958303 0.73 ALDH1A1 (0.62) HPGDPOLBBMP1ALDH1A1TDP1

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 HPGD 532/4885POLB 424/4885BMP1 1004/4885

“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.