SCHEMBL893369

SCHEMBL893369

CCCCn1ccnc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
TLR8 Q9NR97 4/20 0.51
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 4/20 0.36
HIF1A Q16665 1/20 0.35
CYP2D6 P10635 2/20 0.35
ADORA2A P29274 1/20 0.35
MPO P05164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10352847 0.81 TLR8 (0.61) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL4867589 0.80
SCHEMBL2960713 0.80 ALDH1A1 (0.53) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL11050657 0.80 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL1829325 0.80 ALDH1A1 (0.53) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL9037219 0.79 ALDH1A1 (0.35) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL28837797 0.79 TLR8 (0.57) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL15834889 0.79 ADORA2A (0.36) ALDH1A1POLBKMT2ATLR8ADORA2A
SCHEMBL3171422 0.78 ALDH1A1 (0.51) ALDH1A1POLBKMT2ATLR8CYP3A4
SCHEMBL27507350 0.77 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19HIF1ATDP1

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 ALDH1A1 192/4885POLB 1457/4885KMT2A 1982/4885
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 ALDH1A1 192/4885POLB 1457/4885KMT2A 1982/4885

“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.