SCHEMBL9420986

SCHEMBL9420986

COc1ccc(C=CC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.72
MAPT P10636 4/20 0.72
MAOA P21397 2/20 0.72
CYP2C19 P33261 2/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CASP3 P42574 1/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
CXCL12 P48061 1/20 0.66
CYP3A4 P08684 2/20 0.64
BCHE P06276 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
ABCG2 Q9UNQ0 5/20 0.61
ACHE P22303 1/20 0.61
BACE1 P56817 1/20 0.61
TUBB4A P04350 1/20 0.61

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
SCHEMBL14692575 1.00 MAOB (0.72) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL30504733 0.95 F3 (0.71) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL30504730 0.88 ABCG2 (0.78) MAPTCXCL12ABCG2MEN1TNFRSF1A
SCHEMBL31448615 0.87 PTGS1 (0.73) MAOBMAPTMAOACYP2C19CXCL12
SCHEMBL5138843 0.87 MAPT (0.67) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL5138841 0.87 MAPT (0.67) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL30744137 0.87 MAPT (0.67) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL30504728 0.87 ABCG2 (0.83) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL30504738 0.86 ABCG2 (0.76) MAOBMAPTMAOACYP2C19CYP2D6
SCHEMBL4773931 0.85 ABCG2 (0.72) MAOBMAPTMAOACYP2C19CYP3A4

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-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 WO disclosed
US-5290951-A Anticoagulants, antiserotonine agents ELF SANOFI (FR) 1994-03-01 US disclosed
US-5166416-A Cardiovascular disorders or antagonist of HT2 receptors SOCIETE ANONYME: SANOFI (FR) 1992-11-24 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-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF FABP1, GYS2, CYP7B1 MAOB 3332/4885MAPT 4070/4885MAOA 4277/4885

“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.