SCHEMBL4455655

SCHEMBL4455655

CCOc1cccc(OCC)c1C(=O)/C=C/c1c(OC)cc(OC)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.69
ABCG2 Q9UNQ0 6/20 0.65
MAOA P21397 4/20 0.57
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CHRNA7 P36544 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL4455661 1.00 AURKA (0.69) AURKAABCG2MAOATXNRD1TXNRD3
SCHEMBL4453943 0.90 AURKA (0.65) AURKAABCG2MAOAMAPTMAOB
SCHEMBL4453938 0.90 AURKA (0.65) AURKAABCG2MAOAMAPTMAOB
SCHEMBL4447938 0.89 AURKA (0.84) AURKAABCG2MAOATXNRD1TXNRD3
SCHEMBL4447934 0.89 AURKA (0.84) AURKAABCG2MAOATXNRD1TXNRD3
SCHEMBL4456467 0.86 ABCG2 (0.84) AURKAABCG2MAOATXNRD1TXNRD3
SCHEMBL4456464 0.86 ABCG2 (0.84) AURKAABCG2MAOATXNRD1TXNRD3
SCHEMBL4446391 0.83 ABCG2 (0.73) AURKAABCG2MAOATP53CYP3A4
SCHEMBL4446386 0.83 ABCG2 (0.73) AURKAABCG2MAOATP53CYP3A4
SCHEMBL4454032 0.80 ABCG2 (0.64) AURKAABCG2MAOATXNRD1TXNRD3

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-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 US claimed
US-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 US disclosed
US-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 US disclosed
US-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity UNIVERSITE JOSEPH FOURIER GRENOBLE I (FR) 2009-07-16 US disclosed
WO-2007083060-A2 NOVEL CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2007-07-26 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 (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-20090182058-A1 Novel Chalcone Derivatives With Antimitotic Activity ABCE1, CCNE1, FOXM1 AURKA 747/4885ABCG2 38/4885MAOA 4346/4885

“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.