SCHEMBL846875

SCHEMBL846875

COc1ccc(C(C)=O)c(Nc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 19/20 0.81
AKR1C2 P52895 19/20 0.81
GAA P10253 1/20 0.56

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
SCHEMBL293867 0.89 AKR1C3 (1.00) AKR1C3AKR1C2
SCHEMBL295164 0.88 AKR1C3 (0.81) AKR1C3AKR1C2GAA
SCHEMBL848495 0.88 AKR1C3 (0.67) AKR1C3AKR1C2GAA
SCHEMBL294128 0.87 AKR1C3 (0.78) AKR1C3AKR1C2
SCHEMBL296153 0.85 AKR1C3 (0.76) AKR1C3AKR1C2GAA
SCHEMBL10935935 0.81 MEN1 (0.60) AKR1C3AKR1C2GAA
SCHEMBL9595058 0.81 AKR1C3 (1.00) AKR1C3AKR1C2
SCHEMBL21697479 0.81 AKR1C3 (0.65) AKR1C3AKR1C2GAA
SCHEMBL7844457 0.81 AKR1C3 (0.66) AKR1C3AKR1C2GAA
SCHEMBL30701240 0.81 AKR1C3 (1.00) AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 AKR1C3 1069/4885AKR1C2 1207/4885GAA 4777/4885

“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.