SCHEMBL3147179

SCHEMBL3147179

CCOC(=O)CCc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
FAAH O00519 6/20 0.44
ACACB O00763 1/20 0.43
GFER P55789 1/20 0.43
PKM P14618 1/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 2/20 0.43
P2RX3 P56373 1/20 0.42

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
SCHEMBL3134853 0.89 NPC1 (0.48) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL15948094 0.85 RAB9A (0.59) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL3142629 0.82 CYP4F2 (0.48) MAPTACACBGFEROPRM1OPRD1
SCHEMBL8913031 0.80 CYP4F2 (0.45) HPGDMAPTACACBGFERP2RX3
SCHEMBL3138642 0.78 P2RX3 (0.45) ACACBOPRM1OPRD1OPRK1P2RX3
SCHEMBL2773677 0.77 FFAR1 (0.66) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL5169409 0.77 ACACB (0.45) LTA4HACACBOPRM1OPRD1OPRK1
SCHEMBL3146690 0.77 CYP4F2 (0.51) RAB9AACACBOPRM1OPRD1OPRK1
SCHEMBL3147539 0.77 P2RX3 (0.46) P2RX3
SCHEMBL3134816 0.75 FFAR1 (0.50) MAPTP2RX3

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 RAB9A 2782/4885NPC1 1029/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 RAB9A 2323/4885NPC1 1397/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 RAB9A 3123/4885NPC1 2588/4885HPGD 1282/4885

“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.