SCHEMBL4658226

SCHEMBL4658226

COC(=O)CCCc1cc(C(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
TXNRD1 Q16881 1/20 0.40
MAPT P10636 2/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
CTSD P07339 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHEK1 O14757 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4657894 0.88 ALDH1A1 (0.52) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL4658231 0.86 FBP1 (0.44) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL4656912 0.86 ALDH1A1 (0.40) ALDH1A1TDP1LMNAMAPTCTSD
SCHEMBL4658230 0.83 ALDH1A1 (0.48) ALDH1A1TDP1LMNATXNRD1MAPT
SCHEMBL30435857 0.82 ALDH1A1 (0.50) ALDH1A1TDP1LMNATXNRD1MAPT
SCHEMBL4659391 0.82 MAPT (0.48) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL30435368 0.82 ALDH1A1 (0.47) ALDH1A1TDP1LMNATXNRD1MAPT
SCHEMBL30436271 0.82 ALDH1A1 (0.47) ALDH1A1TDP1LMNATXNRD1MAPT
SCHEMBL1351134 0.80 LMNA (0.55) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL30435283 0.79 LMNA (0.45) ALDH1A1TDP1LMNAMAPTMEN1

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 234/4885LMNA 1441/4885

“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.