SCHEMBL4657108

SCHEMBL4657108

Cc1ccc(CCC(C)C(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 4/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
BMP1 P13497 1/20 0.36
TSHR P16473 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM4 Q14833 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4657920 0.89 PDK1 (0.35) ALDH1A1POLBKDM4EKMT2ABMP1
SCHEMBL4656843 0.83 ALDH1A1 (0.49) ALDH1A1TDP1POLBKDM4EKMT2A
SCHEMBL2491279 0.80 NPSR1 (0.47) ALDH1A1TDP1POLBTSHR
SCHEMBL2492917 0.78 ALDH1A1 (0.41) ALDH1A1TDP1KMT2ATSHR
SCHEMBL4656841 0.78 POLB (0.52) ALDH1A1TDP1POLBKMT2ATSHR
SCHEMBL2490626 0.75 ALDH1A1 (0.41) ALDH1A1TDP1POLBTSHRCYP3A4
SCHEMBL25234798 0.74 ALDH1A1 (0.48) ALDH1A1TDP1POLBTSHRCYP3A4
SCHEMBL4658040 0.74 POLB (0.53) ALDH1A1POLBKMT2ATSHRCYP1A2
SCHEMBL27575455 0.73 BID (0.38) ALDH1A1POLBBMP1CYP3A4CYP1A2
SCHEMBL4659006 0.72 ALDH1A1 (0.54) ALDH1A1POLBKMT2ATSHRCYP3A4

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 234/4885POLB 424/4885

“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.