SCHEMBL4453938

SCHEMBL4453938

CCOc1cc(OCC)c(/C=C/C(=O)c2c(OC)cccc2OC)c(OCC)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.65
ABCG2 Q9UNQ0 4/20 0.58
MAOA P21397 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL4453943 1.00 AURKA (0.65) AURKAABCG2MAOASMN1; SMN2MAPT
SCHEMBL4455661 0.90 AURKA (0.69) AURKAABCG2MAOAMAPTMAOB
SCHEMBL4455655 0.90 AURKA (0.69) AURKAABCG2MAOAMAPTMAOB
SCHEMBL4448152 0.88 SLC5A1 (0.48) AURKAABCG2MAOASMN1; SMN2MAPT
SCHEMBL4448153 0.88 SLC5A1 (0.48) AURKAABCG2MAOASMN1; SMN2MAPT
SCHEMBL4447938 0.84 AURKA (0.84) AURKAABCG2MAOAMAPTCYP1A1
SCHEMBL4447934 0.84 AURKA (0.84) AURKAABCG2MAOAMAPTCYP1A1
SCHEMBL979440 0.82 ABCG2 (0.75) AURKAABCG2MAOAMAPTLMNA
SCHEMBL979442 0.82 ABCG2 (0.75) AURKAABCG2MAOAMAPTLMNA
SCHEMBL4456467 0.81 ABCG2 (0.84) AURKAABCG2MAOAMAPTKDM4E

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.