SCHEMBL1004037

SCHEMBL1004037

CCCCNC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
LCK P06239 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NAAA Q02083 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL4610435 0.82 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL4495227 0.82 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL1002276 0.81 TAS1R3 (0.47) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL18645026 0.80 NR5A2 (0.55) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL1003426 0.80 SMN1; SMN2 (0.64) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL4598743 0.78 SMN1; SMN2 (0.68) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL3832764 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL11104706 0.77 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL14310609 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2TSHRHTT
SCHEMBL17703582 0.76 TAS1R3 (0.44) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1

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 ALDH1A1 1816/4885KDM4E 4735/4885SMN1; SMN2 1017/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ALDH1A1 1816/4885KDM4E 4735/4885SMN1; SMN2 1017/4885

“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.