SCHEMBL3134853

SCHEMBL3134853

CCOC(=O)CCc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
ACACB O00763 3/20 0.47
ACACA Q13085 3/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
OPRM1 P35372 5/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
LTA4H P09960 2/20 0.43

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
SCHEMBL3147179 0.89 RAB9A (0.49) NPC1HPGDCRHBPRAB9ACRHR2
SCHEMBL3070644 0.84 POLB (0.56) NPC1HPGDCRHBPRAB9ACRHR2
SCHEMBL5169409 0.83 ACACB (0.45) MEN1PABPC1KMT2AACACBACACA
SCHEMBL3142629 0.81 CYP4F2 (0.48) ACACBACACAMAPTOPRM1OPRD1
SCHEMBL8913031 0.79 CYP4F2 (0.45) HPGDACACBACACAMAPTKCNH2
SCHEMBL3138642 0.77 P2RX3 (0.45) ACACBOPRM1OPRD1OPRK1CXCR1
SCHEMBL27342967 0.77 NPC1 (0.53) NPC1HPGDCRHBPRAB9ACRHR2
SCHEMBL19120696 0.77 MGLL (0.52) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL3129071 0.76 OXTR (0.41) ACACBACACAOPRM1OPRD1OPRK1
SCHEMBL3146690 0.76 CYP4F2 (0.51) RAB9AMEN1KMT2AACACBACACA

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 7 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

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 NPC1 1029/4885HPGD 2527/4885CRHBP 3937/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 NPC1 1397/4885HPGD 733/4885CRHBP 4594/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 NPC1 2588/4885HPGD 1282/4885CRHBP 2706/4885

“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.