SCHEMBL1002662

SCHEMBL1002662

CN(C)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ PDK2 Q15119 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TACR1 P25103 2/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ CTSK P43235 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ DAO P14920 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
SCHEMBL8572282 0.79 CES2 (0.56) ERN1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL1003144 0.78 HDAC1 (0.53) ERN1SMN1; SMN2HDAC4PDK2ALDH1A1
SCHEMBL28460682 0.77 CES2 (0.41) CES2CES1DAO
SCHEMBL30848213 0.76 ERN1 (0.34) ERN1SMN1; SMN2L3MBTL1PDK2TACR1
SCHEMBL3875496 0.75 RXRA (0.46) SMN1; SMN2RAB9AALDH1A1HPGDCES2
SCHEMBL1004168 0.74 PARP1 (0.41) ERN1SMN1; SMN2L3MBTL1PDK2POLB
SCHEMBL12221612 0.73 SMN1; SMN2 (0.52) ERN1SMN1; SMN2PDK2ALDH1A1HPGD
SCHEMBL23826367 0.73 NOTUM (0.53) ERN1L3MBTL1ALDH1A1POLB
SCHEMBL1002234 0.73 HDAC6 (0.44) SMN1; SMN2HDAC4PDK2ALDH1A1HPGD
SCHEMBL1004158 0.73 CES2 (0.54) ERN1SMN1; SMN2NPC1ALDH1A1HPGD

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-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 — — US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 — — US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 — — US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 — — 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B ERN1 4129/4885SMN1; SMN2 1017/4885L3MBTL1 2323/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ERN1 4129/4885SMN1; SMN2 1017/4885L3MBTL1 2323/4885

“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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