Benzene

Benzene

SCHEMBL3360754

CC(=O)OCCC1CCN(C(=O)OC(C)(C)C)CC1.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
GPR119 Q8TDV5 16/20 0.50

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
SCHEMBL8423975 0.96 GPR119 (0.50) KDM4EPKMGPR119
SCHEMBL6399672 0.89 GPR119 (0.45) KDM4EPKMGPR119
Benzene SCHEMBL3362058 0.87 KDM4E (0.55) KDM4EPKMGPR119
SCHEMBL5192065 0.87 KDM4E (0.51) KDM4EPKMGPR119
SCHEMBL5192061 0.85 GPR119 (0.51) KDM4EPKMGPR119
SCHEMBL18891231 0.83 KDM4E (0.64) KDM4EPKMGPR119
SCHEMBL6156324 0.83 HPGD (0.58) KDM4EPKMGPR119
SCHEMBL4096002 0.83 GPR119 (0.50) KDM4EPKMGPR119
SCHEMBL27417726 0.82 HPGD (0.50) KDM4EPKMGPR119
SCHEMBL27271717 0.82 HPGD (0.45) KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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 (2 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KDM4E 2600/4885PKM 3482/4885GPR119 223/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KDM4E 2600/4885PKM 3482/4885GPR119 223/4885

“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.