SCHEMBL8737482

SCHEMBL8737482

CCOC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.79
RAB9A P51151 4/20 0.79
HPGD P15428 3/20 0.79
CRHBP P24387 1/20 0.79
CRHR2 Q13324 1/20 0.79
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP14 P50281 1/20 0.57
MAPK14 Q16539 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PNLIP P16233 1/20 0.52
MTNR1B P49286 1/20 0.52

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
SCHEMBL9188320 0.95 HPGD (0.87) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL1719720 0.91 SMN1; SMN2 (0.71) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9923774 0.89 HPGD (0.64) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9091689 0.89 RAB9A (1.00) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL17636723 0.89 HPGD (0.77) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL11833154 0.86 HPGD (0.73) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL7565510 0.86 RAB9A (0.71) NPC1RAB9AHPGDCRHBPCRHR2
Urethane SCHEMBL10734196 0.83 SMN1; SMN2 (0.62) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9515073 0.83 LMNA (0.69) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL7556396 0.83 NPC1 (0.69) NPC1RAB9AHPGDCRHBPCRHR2

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 5 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-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 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 (4 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 NPC1 3710/4885RAB9A 1797/4885HPGD 524/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 NPC1 3710/4885RAB9A 1797/4885HPGD 524/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF NPC1 3232/4885RAB9A 1346/4885HPGD 2117/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF NPC1 3232/4885RAB9A 1346/4885HPGD 2117/4885

“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.