SCHEMBL793345

SCHEMBL793345

CCOC(=O)NCCc1ccc(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
GLA P06280 1/20 0.68
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
THRB P10828 1/20 0.60
LMNA P02545 1/20 0.60
NAMPT P43490 1/20 0.60
MEN1 O00255 2/20 0.59

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
SCHEMBL26017696 0.91 KMT2A (0.60) KMT2AGLACA12CA1CA2
SCHEMBL12192727 0.89 KMT2A (0.64) KMT2AGLACA12CA1CA2
SCHEMBL7265002 0.88 CA12 (0.73) KMT2ACA12CA1CA2CA9
SCHEMBL29572296 0.88 GLA (0.63) KMT2AGLACA12CA1CA2
SCHEMBL1159713 0.88 KMT2A (0.63) KMT2AGLACA12CA1CA2
SCHEMBL29204006 0.88 GLA (0.63) KMT2AGLACA12CA1CA2
SCHEMBL794442 0.88 KMT2A (0.63) KMT2AGLACA12CA1CA2
SCHEMBL10616307 0.87 CA1 (0.64) KMT2ACA12CA1CA2CA9
SCHEMBL11005941 0.86 CA12 (0.63) KMT2ACA12CA1CA2CA9
SCHEMBL12931739 0.86 CA12 (0.63) KMT2ACA12CA1CA2CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 KMT2A 4400/4885GLA 80/4885CA12 229/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KMT2A 660/4885GLA 2244/4885CA12 1278/4885

“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.