SCHEMBL3040165

SCHEMBL3040165

O=C1/C(=C/c2ccc(O)cc2)Oc2ccc(I)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 4/20 0.65
TYR P14679 4/20 0.65
MAOA P21397 3/20 0.65
MAOB P27338 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
POLB P06746 2/20 0.62
RAB9A P51151 2/20 0.62
MAPT P10636 2/20 0.62

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
SCHEMBL3040167 1.00 STK17B (0.65) STK17BTYRMAOAMAOBHDAC3
SCHEMBL13617107 0.84 MEN1 (0.72) STK17BTYRMAOAMAOBHDAC3
SCHEMBL21046440 0.83 MEN1 (0.65) STK17BTYRMAOAMAOBHDAC3
SCHEMBL13616978 0.82 MAPT (0.65) STK17BMEN1KMT2APOLBRAB9A
SCHEMBL13617110 0.82 MAOB (0.67) STK17BMAOBMEN1KMT2APOLB
SCHEMBL12886570 0.82 STK17B (0.56) STK17BTYRMAOAMAOBMEN1
SCHEMBL5308793 0.81 RAB9A (0.73) STK17BTYRMAOAMAOBHDAC3
SCHEMBL5308789 0.81 RAB9A (0.73) STK17BTYRMAOAMAOBHDAC3
SCHEMBL3045006 0.80 STK17B (0.59) STK17BMAOBMEN1KMT2AMAPT
SCHEMBL3045002 0.80 STK17B (0.59) STK17BMAOBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003191-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS NAGASAKI UNIVERSITY (JP) 2010-01-07 US disclosed
US-20100003191-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS NAGASAKI UNIVERSITY (JP) 2010-01-07 US disclosed
EP-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP disclosed
EP-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP 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-20100003191-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS APP, APBA1, BACE1 STK17B 772/4885TYR 2970/4885MAOA 1724/4885

“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.