SCHEMBL4060947

SCHEMBL4060947

C#Cc1ccc(COC(C)OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
IDO1 P14902 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE2A O00408 1/20 0.31
RCE1 Q9Y256 1/20 0.31
PYCR1 P32322 1/20 0.30

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
SCHEMBL11957475 0.83 HDAC8 (0.34) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL15565140 0.80 IDO1 (0.36) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL19440253 0.79 ACACB (0.33) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL16070730 0.77 POLB (0.33) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL16070675 0.77 POLB (0.33) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL17518181 0.77 POLB (0.33) ACACBMAOAMAOBIDO1HDAC8
SCHEMBL683167 0.77 AGXT (0.48) MAOBIDO1
SCHEMBL683150 0.77 TDP1 (0.37) IDO1RCE1
SCHEMBL8968738 0.77 TAAR1 (0.45) IDO1
SCHEMBL12344408 0.77 ACACB (0.41) ACACBMAOBIDO1HDAC8PDE2A

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
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC ACACB 1896/4885MAOA 55/4885MAOB 71/4885

“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.