SCHEMBL774040

SCHEMBL774040

CC(C)(C)OC(=O)N(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
F2 P00734 2/20 0.35
CXCR2 P25025 2/20 0.34
LIPE Q05469 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2377873 0.85 CXCR2 (0.37) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL23526428 0.84 USP30 (0.40) USP30CXCR2LIPEAAK1BACE1
SCHEMBL26463101 0.82 USP30 (0.39) USP30CXCR2LIPEAAK1BACE1
SCHEMBL776130 0.82 CTSS (0.35) USP30MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL28831157 0.78 MTNR1A (0.40) USP30CXCR2LIPEAAK1
SCHEMBL798304 0.76 SMN1; SMN2 (0.44) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL28950591 0.76 CXCR2 (0.40) USP30CXCR2LIPEAAK1
SCHEMBL25862379 0.76 DGAT1 (0.37) USP30CXCR2LIPEAAK1BACE1
SCHEMBL23536625 0.75 CXCR2 (0.39) MEN1KMT2ACXCR2ALDH1A1
SCHEMBL1615770 0.75 PRMT5 (0.48) MEN1KMT2ACXCR2LIPEAAK1

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-8674040-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-18 US disclosed
EP-2688897-A1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF Exxon-Mobil Chemical Patents Inc. (US) 2014-01-29 EP disclosed
EP-2688896-A2 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF Exxonmobil Chemical Patents Inc. (US) 2014-01-29 EP disclosed
US-8394902-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-03-12 US disclosed
WO-2012134613-A2 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-04 WO disclosed
WO-2012134614-A1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-04 WO disclosed
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US disclosed
US-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-09-15 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-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof PICALM, PARN, PCBP1 USP30 4854/4885MEN1 2585/4885CYP3A4 813/4885
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK USP30 4808/4885MEN1 3180/4885CYP3A4 213/4885

“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.