SCHEMBL4658102

SCHEMBL4658102

CCCCc1cccc(CCCC(=O)OCC)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DRD2 P14416 1/20 0.41
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4659319 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL4658129 0.85 CYP4F2 (0.48) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL4657626 0.83 TLR8 (0.47) ALDH1A1TDP1KDM4ETRPV1PPARG
SCHEMBL4659158 0.83 CYSLTR2 (0.46) ALDH1A1TDP1SMN1; SMN2KMT2AMAPK1
SCHEMBL4656878 0.82 CYP4F2 (0.59) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL7317165 0.81 CYP4F2 (0.52) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL2491276 0.80 ALDH1A1 (0.48) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL10939366 0.80 ALDH1A1 (0.51) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL2409302 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL28008697 0.77 CYP4F2 (0.73) ALDH1A1TDP1CYP4F2CYP4A11SMN1; 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 ALDH1A1 159/4885TDP1 234/4885CYP4F2 608/4885

“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.