SCHEMBL3440591

SCHEMBL3440591

COc1ccc(/C=C/C(=O)c2cccc(OCCCCCBr)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.67
MAOB P27338 5/20 0.60
BCHE P06276 4/20 0.60
ACHE P22303 1/20 0.60
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL3440592 1.00 ABCG2 (0.67) ABCG2MAOBBCHEACHELMNA
SCHEMBL3440578 0.99 ABCG2 (0.68) ABCG2MAOBBCHEACHELMNA
SCHEMBL3440577 0.99 ABCG2 (0.68) ABCG2MAOBBCHEACHELMNA
SCHEMBL29014180 0.86 MAOB (0.71) ABCG2MAOBBCHEACHELMNA
SCHEMBL4847840 0.84 BCHE (0.68) ABCG2MAOBBCHEACHELMNA
SCHEMBL4846087 0.84 BCHE (0.68) ABCG2MAOBBCHEACHELMNA
SCHEMBL12871329 0.84 ABCG2 (0.94) ABCG2MAOBBCHEACHELMNA
SCHEMBL1180393 0.84 ABCG2 (0.94) ABCG2MAOBBCHEACHELMNA
SCHEMBL29014268 0.83 MAOB (0.71) ABCG2MAOBBCHELMNAMAPT
SCHEMBL31463109 0.83 MAOB (0.71) ABCG2MAOBBCHELMNAMAPT

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-7807712-B2 Oxy substituted chalcones as antihyperglycemic and antidyslipidemic agents PRATAP RAM 2010-10-05 US disclosed
US-20060142303-A1 Oxy substituted chalcones as antihyperglycemic and antidyslipidemic agents PRATAP RAM 2006-06-29 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-20060142303-A1 Oxy substituted chalcones as antihyperglycemic and antidyslipidemic agents LIPC, CYP46A1, HMGCR ABCG2 257/4885MAOB 2303/4885BCHE 482/4885

“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.