SCHEMBL3138642

SCHEMBL3138642

CCOC(=O)CCc1ccc(Oc2ccc(NCCOC)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 2/20 0.42
ACACB O00763 1/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
SYK P43405 1/20 0.40
CYP4Z1 Q86W10 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
SCHEMBL3142629 0.88 CYP4F2 (0.48) P2RX3CYP4F2CYP4A11OPRM1OPRD1
SCHEMBL3147138 0.84 P2RX3 (0.44) P2RX3CYP4F2CYP4A11OPRM1OPRD1
SCHEMBL8913031 0.81 CYP4F2 (0.45) P2RX3CYP4F2CYP4A11ACACBCYP4Z1
SCHEMBL3134816 0.81 FFAR1 (0.50) P2RX3CYP4F2CYP4A11
SCHEMBL5169409 0.78 ACACB (0.45) P2RX3OPRM1OPRD1OPRK1ACACB
SCHEMBL3146690 0.78 CYP4F2 (0.51) CYP4F2CYP4A11OPRM1OPRD1OPRK1
SCHEMBL3147539 0.78 P2RX3 (0.46) P2RX3CYP4F2CYP4A11SYK
SCHEMBL3147179 0.78 RAB9A (0.49) P2RX3OPRM1OPRD1OPRK1ACACB
SCHEMBL3134853 0.77 NPC1 (0.48) OPRM1OPRD1OPRK1ACACBCXCR1
SCHEMBL7410653 0.75 KMT2A (0.53) CXCR1CXCR2

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 380/4885CYP4F2 546/4885CYP4A11 159/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 P2RX3 2435/4885CYP4F2 2279/4885CYP4A11 1486/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 P2RX3 1097/4885CYP4F2 435/4885CYP4A11 183/4885

“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.