SCHEMBL7069986

SCHEMBL7069986

COc1cccc(C=CC(=O)c2c(OCC=C(C)C)ccc3c(=O)c(C)c(-c4ccccc4)oc23)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
NQO1 P15559 2/20 0.45
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
BCHE P06276 1/20 0.43
MAOB P27338 6/20 0.42
ALOX5 P09917 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
KCNA3 P22001 2/20 0.41
PTGES O14684 1/20 0.40
MAOA P21397 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7070733 0.91 NQO1 (0.45) ABCB1NQO1BCHEMAOBABCG2
SCHEMBL7073297 0.91 MAOB (0.43) ABCB1TP53MDM2MAOBALOX5
SCHEMBL7073634 0.91 NQO1 (0.45) ABCB1NQO1BCHEMAOBABCG2
SCHEMBL7072240 0.88 ALOX5 (0.50) ABCB1TP53MDM2ALOX5PTGES
SCHEMBL7067921 0.85 NQO1 (0.49) ABCB1NQO1TP53MDM2BCHE
SCHEMBL7075613 0.85 MAOB (0.42) ABCB1NQO1TP53MDM2MAOB
SCHEMBL7067916 0.84 KDM4E (0.46) MAOBMAOALMNAMAPT
SCHEMBL7070595 0.82 MAOB (0.40) MAOBMAOALMNAMAPT
SCHEMBL7074913 0.82 LMNA (0.45) MAOBKCNA3MAOALMNAMAPT
SCHEMBL7072943 0.81 ALDH1A1 (0.41) ABCB1MAOBMAOALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620842-B2 Chalcones INDENA SPA (IT) 2003-09-16 US claimed
EP-1212315-B1 NOVEL CHALCONES INDENA SPA (IT) 2003-03-26 EP claimed
US-20030055056-A1 For use as antitumor and immune suppressive agents, as inhibitors of proliferative cell growth and as prophylactic agents to inhibit and prevent cancer and non-malignant cell growth INDENA S.P.A. (IT) 2003-03-20 US claimed
EP-1212315-A1 NOVEL CHALCONES INDENA S.p.A. (IT) 2002-06-12 EP claimed
WO-2001017988-A1 NOVEL CHALCONES INDENA S.P.A. (IT) 2001-03-15 WO claimed
US-6620842-B2 Chalcones INDENA SPA (IT) 2003-09-16 US disclosed
EP-1212315-B1 NOVEL CHALCONES INDENA SPA (IT) 2003-03-26 EP disclosed
US-20030055056-A1 For use as antitumor and immune suppressive agents, as inhibitors of proliferative cell growth and as prophylactic agents to inhibit and prevent cancer and non-malignant cell growth INDENA S.P.A. (IT) 2003-03-20 US disclosed
EP-1212315-A1 NOVEL CHALCONES INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017988-A1 NOVEL CHALCONES INDENA S.P.A. (IT) 2001-03-15 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-20030055056-A1 For use as antitumor and immune suppressive agents, as inhibitors of proliferative cell growth and as prophylactic agents to inhibit and prevent cancer and non-malignant cell growth HDGF, MKI67, HPD ABCB1 2714/4885NQO1 1090/4885TP53 14/4885

“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.