SCHEMBL5512286

SCHEMBL5512286

CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1O)CC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GLO1 Q04760 1/20 0.48
MIF P14174 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 1/20 0.40
POLB P06746 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL14452235 1.00 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL14384267 0.89 MAPT (0.42) ALDH1A1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL5523152 0.86 GLO1 (0.52) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL5523145 0.86 GLO1 (0.52) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL14452234 0.85 GLO1 (0.46) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL1094902 0.80 LMNA (0.50) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL3043851 0.79 GLO1 (0.72) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL1095183 0.79 GLO1 (0.72) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL18371964 0.79 MAPT (0.52) ALDH1A1KMT2ALMNAKDM4EGLO1
SCHEMBL12423827 0.77 GLO1 (0.46) ALDH1A1KMT2ALMNAKDM4EGLO1

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
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO 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 (2 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-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E ALDH1A1 2153/4885KMT2A 2900/4885LMNA 3703/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E ALDH1A1 2153/4885KMT2A 2900/4885LMNA 3703/4885

“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.