SCHEMBL3147138

SCHEMBL3147138

CCOC(=O)CCc1ccc(Oc2ccc(NCCc3ccc(Cl)c(Cl)c3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CNR2 P34972 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
ACACB O00763 1/20 0.40
PTGDR Q13258 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL3134816 0.92 FFAR1 (0.50) P2RX3SMN1; SMN2FFAR1CYP4F2CYP4A11
SCHEMBL3147539 0.88 P2RX3 (0.46) P2RX3SMN1; SMN2CYP4F2CYP4A11
SCHEMBL3142892 0.88 FFAR1 (0.54) P2RX3SMN1; SMN2GRIN1GRIN2BFFAR1
SCHEMBL3142629 0.84 CYP4F2 (0.48) P2RX3CYP4F2CYP4A11ACACBOPRM1
SCHEMBL3138642 0.84 P2RX3 (0.45) P2RX3CYP4F2CYP4A11ACACBOPRM1
SCHEMBL3143632 0.82 FFAR1 (0.52) P2RX3SMN1; SMN2GRIN1GRIN2BFFAR1
SCHEMBL3142673 0.81 SMN1; SMN2 (0.43) P2RX3SMN1; SMN2CYP4F2CYP4A11ACACB
SCHEMBL3146712 0.80 CYP4F2 (0.40) P2RX3SMN1; SMN2FFAR1CYP4F2CYP4A11
SCHEMBL3137193 0.79 KCNQ3 (0.47) P2RX3SMN1; SMN2CYP3A4
SCHEMBL8913031 0.77 CYP4F2 (0.45) P2RX3CYP4F2CYP4A11ACACB

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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 P2RX3 380/4885SMN1; SMN2 4313/4885HTT 3655/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 P2RX3 2435/4885SMN1; SMN2 3224/4885HTT 4769/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 P2RX3 1097/4885SMN1; SMN2 3077/4885HTT 3668/4885

“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.