SCHEMBL8738417

SCHEMBL8738417

Cc1ccc(Nc2ccc(C(C)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
G6PD P11413 1/20 0.48
KMT2A Q03164 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN1 P18031 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
SNCA P37840 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KCNH3 Q9ULD8 1/20 0.39
CYP26A1 O43174 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL7169360 0.91 NOS3 (0.43) HPGDGAAL3MBTL1MEN1KMT2A
SCHEMBL343916 0.86 ACHE (0.47) ALDH1A1TDP1NOS3NOS1LMNA
SCHEMBL427794 0.86 ACHE (0.47) ALDH1A1TDP1NOS3NOS1LMNA
SCHEMBL3073684 0.86 ACHE (0.47) ALDH1A1TDP1NOS3NOS1LMNA
Ethane SCHEMBL11246075 0.84 NOS3 (0.45) ALDH1A1TDP1NOS3NOS1LMNA
SCHEMBL2750389 0.82 HPGD (0.56) HPGDGAAL3MBTL1MEN1G6PD
SCHEMBL10712966 0.82 HPGD (0.56) HPGDGAAL3MBTL1MEN1G6PD
SCHEMBL12807984 0.79 PTPN5 (0.47) ALDH1A1TDP1NOS3NOS1
SCHEMBL28483628 0.79 PTPN5 (0.47) ALDH1A1TDP1NOS3NOS1
SCHEMBL9516537 0.78 HPGD (0.78) HPGDGAAL3MBTL1MEN1G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HPGD 2117/4885GAA 3315/4885L3MBTL1 1879/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF HPGD 2117/4885GAA 3315/4885L3MBTL1 1879/4885

“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.