SCHEMBL1004147

SCHEMBL1004147

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP19A1 P11511 1/20 0.46
ERN1 O75460 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL970447 0.85 RXFP1 (0.50) RXFP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL2486085 0.84 PKM (0.62) MEN1KMT2ACYP19A1ERN1ALDH1A1
SCHEMBL7376402 0.84 TUBB4A (0.51) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL17151146 0.79 CYP1A2 (0.47) MEN1KMT2ACYP19A1ERN1ALDH1A1
SCHEMBL6409033 0.78 CYP2C9 (0.66) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL668540 0.77 CA12 (0.69) RXFP1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL12327904 0.77 LMNA (0.69) RXFP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL10824650 0.77 MEN1 (0.58) RXFP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL1003355 0.76 BRD4 (0.44) CYP19A1ERN1ALDH1A1CYP2C19HPGD
SCHEMBL12062763 0.76 TAS1R3 (0.49) MEN1KMT2AERN1ALDH1A1CYP3A4

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 RXFP1 4072/4885MEN1 1717/4885KMT2A 3578/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B RXFP1 4072/4885MEN1 1717/4885KMT2A 3578/4885

“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.