SCHEMBL4499494

SCHEMBL4499494

COc1cc(/C=C/C=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.62
EGFR P00533 2/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
GFER P55789 1/20 0.54
XDH P47989 1/20 0.52
PIM1 P11309 1/20 0.52
GAA P10253 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
DBH P09172 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50

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
SCHEMBL4499495 1.00 JUN (0.62) JUNEGFRMEN1KMT2APOLB
SCHEMBL29672623 0.85 EGFR (0.66) JUNEGFRMEN1KMT2APOLB
SCHEMBL374530 0.85 EGFR (0.66) JUNEGFRMEN1KMT2APOLB
SCHEMBL344482 0.85 EGFR (0.66) JUNEGFRMEN1KMT2APOLB
SCHEMBL11229255 0.84 JUN (0.63) JUNEGFRMEN1KMT2APOLB
Methyl Alcohol SCHEMBL29087051 0.84 EGFR (0.64) JUNEGFRMEN1KMT2APOLB
SCHEMBL21114347 0.83 XDH (0.67) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL197271 0.83 XDH (0.67) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL197270 0.83 XDH (0.67) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL3198139 0.83 JUN (0.81) JUNEGFRMEN1KMT2APOLB

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-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1727822-A4 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2007-05-09 EP disclosed
EP-1727822-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2006-12-06 EP disclosed
WO-2005092904-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2005-10-06 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 (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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA JUN 1853/4885EGFR 1713/4885MEN1 2749/4885

“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.