SCHEMBL5509506

SCHEMBL5509506

COC(=O)C=Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSP90AA1 P07900 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
NLRP1 Q9C000 1/20 0.50
TYR P14679 2/20 0.47
TTR P02766 1/20 0.47

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
SCHEMBL5509505 1.00 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14384259 1.00 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3928524 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11938125 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3919839 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL4019893 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3832379 0.84 TDP1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1531400 0.84 TYR (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1531401 0.84 TYR (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14279563 0.84 ERN1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD

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 6 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
CN-1984908-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-20 CN 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 2153/4885MAPT 47/4885MEN1 4666/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E ALDH1A1 2153/4885MAPT 47/4885MEN1 4666/4885

“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.