SCHEMBL1005872

SCHEMBL1005872

COc1c(C)cc(C(N)=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
APOBEC3A P31941 1/20 0.55
HTT P42858 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PARP1 P09874 3/20 0.47
PARP10 Q53GL7 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL15492298 0.87 TSHR (0.47) TSHRAPOBEC3AHTTAPOBEC3GNCOA1
SCHEMBL11435411 0.82 TUBB4A (0.54) TSHRHTTALDH1A1TUBB4ATUBB
SCHEMBL13847870 0.81 TSHR (0.43) TSHRAPOBEC3AHTTAPOBEC3GNCOA1
SCHEMBL2796551 0.80 LMNA (0.52) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL312132 0.80 TPMT (0.55) CA1CA2ALDH1A1TAS1R3TAS1R1
SCHEMBL28114554 0.79 TSHR (0.42) TSHRAPOBEC3AHTTAPOBEC3GNCOA1
SCHEMBL1739400 0.78 CA1 (0.54) TSHRCA1CA2ALDH1A1TAS1R3
SCHEMBL986584 0.78 ALDH1A1 (0.46) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL11851061 0.78 TPMT (0.53) CA1CA2ALDH1A1TAS1R3TAS1R1
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.78 TSHR (0.76) TSHRAPOBEC3AHTTAPOBEC3GNCOA1

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 6 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
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 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 TSHR 4283/4885APOBEC3A 2899/4885HTT 3924/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TSHR 4283/4885APOBEC3A 2899/4885HTT 3924/4885

“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.