SCHEMBL1005865

SCHEMBL1005865

CCCCN(CC)C(=O)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.82
GAA P10253 1/20 0.82
ALDH1A1 P00352 3/20 0.68
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
TSHR P16473 1/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
HDAC3 O15379 1/20 0.57
HDAC2 Q92769 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
NAMPT P43490 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL6919327 0.95 HPGD (0.74) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL1004032 0.93 HPGD (0.71) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL2614245 0.93 HPGD (0.71) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL11213668 0.91 HPGD (0.69) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL27488430 0.89 HPGD (0.71) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL5166929 0.89 HPGD (0.68) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL11212992 0.89 HPGD (0.72) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL11357038 0.86 HPGD (0.70) HPGDGAAALDH1A1HDAC1HDAC6
SCHEMBL28884103 0.86 HDAC1 (0.74) HPGDGAAHDAC1HDAC6HDAC3
SCHEMBL18274820 0.86 HPGD (0.62) HPGDGAAALDH1A1HDAC1HDAC6

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 5 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
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP 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 HPGD 3260/4885GAA 4868/4885ALDH1A1 1816/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HPGD 3260/4885GAA 4868/4885ALDH1A1 1816/4885

“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.