SCHEMBL8736759

SCHEMBL8736759

CCOc1ccc(Oc2ccc(C)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.45
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
TEAD4 Q15561 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPBWR1 P48145 2/20 0.40
MCHR1 Q99705 2/20 0.40
NQO1 P15559 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL14402752 0.86 KDM4E (0.50) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8736438 0.81 MEN1 (0.53) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL29658840 0.81 NQO1 (0.56) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL130178 0.81 MAPT (0.53) KDM4ERAB9ANPC1GAAMAPT
SCHEMBL3822379 0.81 NQO1 (0.56) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL13047644 0.79 ACACB (0.56) KDM4EMEN1KMT2ARAB9ANPC1
Ammonia Solution, Strong SCHEMBL28497790 0.79 MAPT (0.52) KDM4ERAB9ANPC1GAAMAPT
SCHEMBL8737704 0.78 LTA4H (0.68) MEN1KMT2AMAPTLTA4HALDH1A1
SCHEMBL8737839 0.76 MEN1 (0.43) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8737052 0.75 KDM4E (0.66) KDM4EMEN1KMT2ARAB9ANPC1

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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (3 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885MEN1 3545/4885KMT2A 2201/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885

“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.