SCHEMBL4339523

SCHEMBL4339523

c1ccc(COC2CCCc3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
GPR84 Q9NQS5 2/20 0.55
BRD4 O60885 1/20 0.46
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TAOK1 Q7L7X3 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL257971 0.88 IDO1 (0.53) IDO1GPR84BRD4ATMALDH1A1
SCHEMBL12260702 0.84 IDO1 (0.49) IDO1GPR84BRD4ATMALDH1A1
SCHEMBL15818871 0.84 GPR84 (0.70) IDO1GPR84ALDH1A1MEN1GAA
SCHEMBL19540929 0.82 GPR84 (0.60) IDO1GPR84TMEM97
SCHEMBL8082622 0.80 IDO1 (0.62) IDO1GPR84ALDH1A1MEN1GAA
SCHEMBL7326172 0.80 IDO1 (0.62) IDO1GPR84ALDH1A1MEN1GAA
SCHEMBL10340150 0.80 IDO1 (0.62) IDO1GPR84ALDH1A1KMT2AFFAR1
SCHEMBL29890737 0.80 IDO1 (0.62) IDO1GPR84ALDH1A1KMT2AFFAR1
SCHEMBL6689946 0.80 IDO1 (0.67) IDO1GPR84ALDH1A1MEN1GAA
SCHEMBL20433788 0.80 IDO1 (0.62) IDO1GPR84ALDH1A1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
US-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
US-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1992605-A1 METHOD OF DEUTERIZING BENZYL-POSITION IN -O-BENZYL GROUP Wako Pure Chemical Industries, Ltd. (JP) 2008-11-19 EP disclosed
EP-1992605-A1 METHOD OF DEUTERIZING BENZYL-POSITION IN -O-BENZYL GROUP Wako Pure Chemical Industries, Ltd. (JP) 2008-11-19 EP 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 (1 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-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP DBH, BRD4, BRD3 IDO1 750/4885GPR84 3805/4885BRD4 2/4885

“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.