SCHEMBL3045002

SCHEMBL3045002

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 5/20 0.59
PNLIP P16233 4/20 0.53
MAOB P27338 3/20 0.49
ACHE P22303 2/20 0.49
AURKA O14965 2/20 0.48
DAPK3 O43293 2/20 0.48
GSK3B P49841 2/20 0.48
BLK P51451 2/20 0.48
BTK Q06187 2/20 0.48
STK17A Q9UEE5 2/20 0.48
DAPK2 Q9UIK4 2/20 0.48
CDK5 Q00535 1/20 0.48
TEK Q02763 1/20 0.48
ITK Q08881 1/20 0.48
IKBKB O14920 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3045006 1.00 STK17B (0.59) STK17BPNLIPMAOBACHEAURKA
SCHEMBL3046717 0.93 STK17B (0.55) STK17BPNLIPMAOBACHEAURKA
SCHEMBL3042357 0.93 STK17B (0.55) STK17BPNLIPMAOBACHEAURKA
SCHEMBL3042360 0.93 STK17B (0.55) STK17BPNLIPMAOBACHEAURKA
SCHEMBL3046715 0.93 STK17B (0.55) STK17BPNLIPMAOBACHEAURKA
SCHEMBL13617110 0.82 MAOB (0.67) STK17BMAOBACHEAURKADAPK3
SCHEMBL3040165 0.80 STK17B (0.65) STK17BMAOBAURKADAPK3GSK3B
SCHEMBL3040167 0.80 STK17B (0.65) STK17BMAOBAURKADAPK3GSK3B
SCHEMBL3042766 0.78 STK17B (0.55) STK17BPNLIPMAOBAURKADAPK3
SCHEMBL13616978 0.77 MAPT (0.65) STK17BACHEAURKADAPK3GSK3B

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 772/4885PNLIP 4797/4885MAOB 1034/4885

“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.