SCHEMBL893269

SCHEMBL893269

CCCCC1CCCN(OC)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
LSS P48449 2/20 0.42
DPP4 P27487 5/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
BCHE P06276 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
SCHEMBL8507191 0.79 CYP1A2 (0.56) CYP1A2LSSDPP4POLBHPGD
Fluoride SCHEMBL30330840 0.77 CYP1A2 (0.54) CYP1A2LSSDPP4POLBHPGD
SCHEMBL772799 0.77
SCHEMBL4988747 0.76 LSS (0.48) CYP1A2LSSPOLBMAPTMEN1
SCHEMBL12561561 0.76 CYP1A2 (0.52) CYP1A2LSSDPP4BCHE
SCHEMBL13570070 0.75 CYP1A2 (0.43) CYP1A2LSSMEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL30330784 0.74 CYP1A2 (0.50) CYP1A2LSSBCHE
Cyanide SCHEMBL30330797 0.74 CYP1A2 (0.50) CYP1A2LSSDPP4POLBHPGD
Methoxymethane SCHEMBL8030839 0.73 CYP1A2 (0.81) CYP1A2POLBHPGDMAPTLMNA
SCHEMBL19454711 0.73 LSS (0.51) CYP1A2LSSHRH3BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573915-B2 Ionic liquids, the method for preparing the same and method for removing acetylenes from olefin mixtures using the ionic liquids KOLON INDUSTRIES, INC. (KR) 2017-02-21 US disclosed
US-20140296523-A1 Ionic Liquids, The Method For Preparing The Same And Method For Removing Acetylenes From Olefin Mixtures Using The Ionic Liquids KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-10-02 US disclosed
US-8785711-B2 Ionic liquids, the method for preparing the same and method for removing acetylenes from olefin mixtures using the ionic liquids KOLON INDUSTRIES, INC. (KR) 2014-07-22 US disclosed
US-20120083642-A1 IONIC LIQUIDS, THE METHOD FOR PREPARING THE SAME AND METHOD FOR REMOVING ACETYLENES FROM OLEFIN MIXTURES USING THE IONIC LIQUIDS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2012-04-05 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-20120083642-A1 IONIC LIQUIDS, THE METHOD FOR PREPARING THE SAME AND METHOD FOR REMOVING ACETYLENES FROM OLEFIN MIXTURES USING THE IONIC LIQUIDS AOX1, ACOX1, AOC2 CYP1A2 154/4885LSS 1489/4885DPP4 4757/4885
US-20140296523-A1 Ionic Liquids, The Method For Preparing The Same And Method For Removing Acetylenes From Olefin Mixtures Using The Ionic Liquids AOX1, ACOX1, AOC2 CYP1A2 154/4885LSS 1489/4885DPP4 4757/4885

“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.