SCHEMBL1004561

SCHEMBL1004561

COc1cc(C(N)=O)cc(OC)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
APOBEC3A P31941 1/20 0.59
HTT P42858 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
RXFP1 Q9HBX9 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.51
BPTF Q12830 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48

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
SCHEMBL13353970 0.90 TSHR (0.54) TSHRAPOBEC3AHTTAPOBEC3GRXFP1
SCHEMBL29597666 0.86 TSHR (0.54) TSHRAPOBEC3AHTTAPOBEC3GRXFP1
SCHEMBL11850840 0.83 TSHR (0.59) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.83 TSHR (0.76) TSHRAPOBEC3AHTTAPOBEC3GMEN1
SCHEMBL502534 0.83 PKM (0.67) TSHRAPOBEC3AHTTAPOBEC3GKMT2A
3,4,5-Trimethoxybenzamide SCHEMBL4381076 0.81 TSHR (0.73) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL1612307 0.81 TSHR (0.68) TSHRAPOBEC3AHTTAPOBEC3GMEN1
SCHEMBL8628792 0.81 TSHR (0.58) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL22458784 0.80 TSHR (0.53) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL15242142 0.80 CA1 (0.53) TSHRAPOBEC3AHTTAPOBEC3GMEN1

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 9 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-2011075747-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-06-23 WO 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
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 EP disclosed
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 US disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO 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 (3 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 TSHR 4096/4885APOBEC3A 954/4885HTT 3961/4885
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.