SCHEMBL4098698

SCHEMBL4098698

COc1cc(Cl)cc2c1Oc1ccccc1C(C=O)=C2Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ERN1 O75460 4/20 0.37
MAP2 P11137 1/20 0.34
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.32
NR3C1 P04150 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL4098612 0.71 HPGD (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL5658472 0.71 MAOB (0.39) CYP1A2ACHEMAOBMAOA
SCHEMBL5657363 0.69 KDM4E (0.41) ERN1CYP1A2MEN1ALDH1A1MAPT
SCHEMBL5657857 0.69 MAOB (0.38) STK17BACHEMEN1ALDH1A1MAPT
SCHEMBL4107175 0.66 KDM4E (0.44) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL5659868 0.66 KIF11 (0.33)
SCHEMBL5668839 0.65 KIF11 (0.34) MAOBMAPK1MAOA
SCHEMBL5798969 0.62 ALDH1A1 (0.43) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL15348507 0.61 ERN1 (0.58) ERN1CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL15759795 0.59 APP (0.46) NR3C1MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 STK17B 2322/4885HDAC3 1390/4885HDAC4 1115/4885

“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.