SCHEMBL1004039

SCHEMBL1004039

CN(C)C(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.52
ALDH1A1 P00352 4/20 0.46
ACLY P53396 1/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPBAR1 Q8TDU6 3/20 0.40
HCAR1 Q9BXC0 1/20 0.40
PKM P14618 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTT P42858 2/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CA P42336 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
SCHEMBL3784787 0.95 TPMT (0.46) TPMTALDH1A1ACLYHPGDSMN1; SMN2
SCHEMBL9926497 0.87 ALDH1A1 (0.41) TPMTALDH1A1ACLYHPGDSMN1; SMN2
SCHEMBL2073770 0.82 PDE3B (0.39) TPMTALDH1A1ACLYHPGDSMN1; SMN2
SCHEMBL12852625 0.82 SLC6A2 (0.37) TPMTALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL12221612 0.82 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL20888385 0.81 ALDH1A1 (0.38) TPMTALDH1A1ACLYHPGDSMN1; SMN2
SCHEMBL4330116 0.79 ALDH1A1 (0.38) TPMTALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL30149977 0.79 PKM (0.58) ALDH1A1HPGDSMN1; SMN2GPBAR1PKM
SCHEMBL254975 0.79 PKM (0.58) ALDH1A1HPGDSMN1; SMN2GPBAR1PKM
SCHEMBL2250431 0.79 TPMT (0.45) TPMTALDH1A1ACLYHPGDSMN1; SMN2

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
CN-102516719-B Polymer matrix electroluminescent material and device SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-03-23 CN disclosed
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 TPMT 2092/4885ALDH1A1 1816/4885ACLY 4039/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TPMT 2092/4885ALDH1A1 1816/4885ACLY 4039/4885

“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.