SCHEMBL5157645

SCHEMBL5157645

COc1cc(/C=C/C=C(\C#N)NC(C)=O)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2B6 P20813 1/20 0.48
PTGS1 P23219 2/20 0.47
PKM P14618 1/20 0.47
PTGS2 P35354 1/20 0.47
EGFR P00533 3/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
APP P05067 1/20 0.42
DNM1 Q05193 5/20 0.42
KMT2A Q03164 3/20 0.42
NFKB1 P19838 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RGS12 O14924 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL5157649 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL5157829 0.87 EGFR (0.43) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL5157822 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL4485259 0.85 DNM1 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL4485253 0.85 DNM1 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL5157804 0.83 LMNA (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL14381045 0.82 ABL1 (0.50) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL5159395 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6
SCHEMBL5159075 0.81 KMT2A (0.49) PTGS1PKMPTGS2EGFRKMT2A
SCHEMBL13678150 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP2D6CYP2B6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209845-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-21 US claimed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US claimed
JP-2003531133-A 2003-10-21 JP claimed
US-20030109502-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2003-06-12 US claimed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP claimed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 WO claimed
EP-1752446-A2 Compounds for modulating cell proliferation HSC Research and Development Limited Partnership (CA) 2007-02-14 EP disclosed
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP disclosed
US-20060241084-A1 Inhibition of vascular endothelial growth factor THE HOSPITAL FOR SICK CHILDREN (CA) 2006-10-26 US disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US disclosed
US-20040209845-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-21 US disclosed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US disclosed
US-20030109502-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2003-06-12 US disclosed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP disclosed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 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 (4 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-20060241084-A1 Inhibition of vascular endothelial growth factor VEGFA, FLT4, FLT1 CYP1A2 2213/4885CYP3A4 2367/4885CYP2C9 4050/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI CYP1A2 4071/4885CYP3A4 4427/4885CYP2C9 4777/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI CYP1A2 4071/4885CYP3A4 4427/4885CYP2C9 4777/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 CYP1A2 3874/4885CYP3A4 4285/4885CYP2C9 4726/4885

“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.