SCHEMBL3138732

SCHEMBL3138732

CCOC(=O)CCc1ccc(Oc2ccc(Br)cn2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
KMT2A Q03164 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
APP P05067 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL3142584 0.87 CYP19A1 (0.43) DRD2KMT2ACYP4F2CYP4A11APP
SCHEMBL3202489 0.83 NPC1 (0.42) KMT2ASMN1; SMN2
SCHEMBL3142600 0.81 CDK8 (0.46) DRD2KMT2AAPPLMNASMN1; SMN2
SCHEMBL3142604 0.81 CDK8 (0.46) DRD2KMT2AAPPLMNASMN1; SMN2
SCHEMBL3143606 0.81 MMP1 (0.44) DRD2KMT2ALMNASMN1; SMN2TSHR
SCHEMBL491276 0.80 CYP4F2 (0.59) DRD2KMT2ACYP4F2CYP4A11LMNA
SCHEMBL5685284 0.79 CALM1 (0.57) DRD2KMT2ACYP4F2CYP4A11APP
SCHEMBL5688330 0.78 HDAC1 (0.56) DRD2CYP4F2CYP4A11APPLMNA
SCHEMBL3134846 0.78 PPARA (0.44) SMN1; SMN2HDAC1HDAC2TSHR
SCHEMBL3139046 0.77 SMN1; SMN2 (0.46) LMNASMN1; SMN2HDAC1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 DRD2 189/4885KMT2A 984/4885CYP4F2 546/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 DRD2 836/4885KMT2A 1623/4885CYP4F2 2279/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 DRD2 1486/4885KMT2A 2349/4885CYP4F2 435/4885

“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.