SCHEMBL7128865

SCHEMBL7128865

C=CCOc1ccc(C(C)=O)c2oc3ccccc3c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
IKBKB O14920 1/20 0.43
MAOA P21397 5/20 0.41
KDM5A P29375 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 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
SCHEMBL7068663 0.82 CA12 (0.52) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL3328856 0.74 MAOA (0.56) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL7072633 0.71 MAOA (0.42) MAOAKDM4EKMT2AALDH1A1MAPT
SCHEMBL7073059 0.71 KDM4E (0.38) IKBKBMAOAKDM4EMEN1KMT2A
SCHEMBL7073740 0.70 MAOA (0.51) CA12CA9IKBKBMAOAKDM4E
SCHEMBL6560676 0.70 CA12 (0.60) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL7070719 0.70 CA12 (0.46) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL1319409 0.69 LIG1 (0.67) CYP3A4KDM4EALDH1A1MAPTLMNA
SCHEMBL29031918 0.68 MAOA (0.60) CA12CA9CYP3A4MAOAKDM5A
SCHEMBL23535529 0.68 CA12 (0.45) CA12CA1CA9CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620842-B2 Chalcones INDENA SPA (IT) 2003-09-16 US 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

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 CA12 2120/4885CA1 2075/4885CA9 1715/4885

“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.