SCHEMBL17484514

SCHEMBL17484514

CCC#Cc1ccc(OCCOC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ MCHR1 Q99705 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ APP P05067 12/20 0.40

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
SCHEMBL18290925 0.85 LTA4H (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28687083 0.84 HRH3 (0.54) ACACBMMP2MMP3MMP13APP
SCHEMBL14231797 0.83 KDM4E (0.56) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14926645 0.83 ACACB (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20681007 0.83 HAO1 (0.40) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14926643 0.83 ACACB (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9333010 0.83 CHRNB2 (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9335388 0.83 ACACB (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14930442 0.81 MCHR1 (0.57) ACACBMCHR1KDM4EAPP
SCHEMBL10102350 0.80 APP (0.55) ACACBMCHR1HAO1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 — — US 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-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 ACACB 573/4885CHRNB2 3682/4885CHRNB4 3810/4885

“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.

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