SCHEMBL4036334

SCHEMBL4036334

O/N=c1/cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 8/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
CYP1A2 P05177 6/20 0.66
CYP1A1 P04798 5/20 0.66
CYP1B1 Q16678 5/20 0.66
KDM4E B2RXH2 4/20 0.66
TP53 P04637 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
ALOX15 P16050 4/20 0.66
TSHR P16473 4/20 0.66
HIF1A Q16665 4/20 0.66
HSD17B10 Q99714 4/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
XDH P47989 4/20 0.66
IPMK Q8NFU5 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
IP6K2 Q9UHH9 4/20 0.66

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
SCHEMBL4036338 1.00 POLH (0.66) POLHMEN1KMT2ACYP1A2CYP1A1
SCHEMBL29904992 0.81 POLH (0.71) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL28256564 0.79 POLH (1.00) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL29352380 0.79 POLH (1.00) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL20426 0.79 POLH (1.00) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL29376494 0.79 POLH (1.00) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL30045580 0.79 POLH (1.00) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL31539190 0.78 POLH (0.97) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL1659262 0.78 POLH (0.97) POLHMEN1KMT2ACYP1A2CYP1A1
Luteolin SCHEMBL31542150 0.78 POLH (0.97) POLHMEN1KMT2ACYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 EP claimed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO claimed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 US claimed
US-7547794-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-16 US disclosed
EP-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 EP disclosed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO disclosed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 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-20040198750-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K6, PACSIN2 POLH 1214/4885MEN1 1272/4885KMT2A 1731/4885

“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.