SCHEMBL4658129

SCHEMBL4658129

CCOC(=O)CCCc1cccc(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NLRP3 Q96P20 3/20 0.43
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
DRD2 P14416 1/20 0.36
SLC6A2 P23975 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
SCHEMBL4656784 0.88 LMNA (0.40) ALDH1A1TDP1SMN1; SMN2HTTMAPT
SCHEMBL4658102 0.85 ALDH1A1 (0.53) CYP4F2CYP4A11ALDH1A1TDP1SMN1; SMN2
SCHEMBL4656927 0.84 MTNR1A (0.40) ALDH1A1TDP1SMN1; SMN2HTTMAPT
SCHEMBL4656911 0.84 CYSLTR2 (0.43) SMN1; SMN2CYP1A2KMT2AMAPK1SLC6A3
SCHEMBL20030391 0.82 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6904692 0.81 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4656878 0.78 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1TDP1SMN1; SMN2
SCHEMBL7317165 0.77 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1TDP1SMN1; SMN2
SCHEMBL2491276 0.76 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1TDP1SMN1; SMN2
SCHEMBL10939366 0.76 ALDH1A1 (0.51) CYP4F2CYP4A11ALDH1A1TDP1SMN1; SMN2

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 5 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
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN 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 CYP4F2 608/4885CYP4A11 318/4885ALDH1A1 159/4885

“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.