SCHEMBL1003515

SCHEMBL1003515

CCCCN(C)C(=O)c1cc(C)c(OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
ALDH1A1 P00352 4/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
PDK2 Q15119 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL1003355 0.77 BRD4 (0.44) THRATHRBALDH1A1NPC1RAB9A
SCHEMBL10605850 0.76 THRA (0.57) THRATHRBALDH1A1L3MBTL1GAA
SCHEMBL19997006 0.75 DRD2 (0.61) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL9300210 0.75 PDK2 (0.47) THRATHRBALDH1A1CSNK2A2CSNK2B
SCHEMBL3469796 0.74 TPMT (0.48) ALDH1A1CSNK2A2CSNK2BCSNK2A1NPC1
SCHEMBL10604070 0.74 THRA (0.50) THRATHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9720532 0.73 ALDH1A1 (0.61) THRATHRBALDH1A1KDM4EL3MBTL1
SCHEMBL3350413 0.72 ESR1 (0.41) ALDH1A1CSNK2A2CSNK2BCSNK2A1NPC1
SCHEMBL14233766 0.72 ALDH1A1 (0.52) ALDH1A1HPGDPDK2L3MBTL1NAMPT
SCHEMBL1003141 0.71 CSNK2A2 (0.45) THRATHRBALDH1A1CSNK2A2CSNK2B

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 THRA 4806/4885THRB 4729/4885ALDH1A1 1816/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B THRA 4806/4885THRB 4729/4885ALDH1A1 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.