SCHEMBL776130

SCHEMBL776130

CC(C)(C)OC(=O)N(Cc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MCL1 Q07820 1/20 0.34
USP30 Q70CQ3 1/20 0.34
NR1D1 P20393 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NQO2 P16083 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL773437 0.86 MEN1 (0.35) NR1H4KDM4EALDH1A1MAPTHPGD
SCHEMBL774040 0.82 USP30 (0.38) USP30CHRM2CHRM1CHRM3BACE1
SCHEMBL26621923 0.72 LPL (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL12822400 0.72 MEN1 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL798304 0.70 SMN1; SMN2 (0.44) CHRM2CHRM1CHRM3KDM4EALDH1A1
SCHEMBL12817123 0.70 MCL1 (0.36) CTSSCTSKMCL1NR1D1CHRM2
SCHEMBL12822172 0.69 GPR55 (0.42)
SCHEMBL775018 0.69 LPL (0.40) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL18662581 0.69 LPL (0.40) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL775430 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDMEN1KMT2A

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-8710163-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-04-29 US disclosed
EP-2688895-A1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF Exxonmobil Chemical Patents Inc. (US) 2014-01-29 EP disclosed
EP-2688897-A1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF Exxon-Mobil 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-2012134615-A1 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-20110301310-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-08 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 (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-20110301310-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK CTSS 4023/4885CTSK 3078/4885MCL1 849/4885
US-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof PICALM, PARN, PCBP1 CTSS 3994/4885CTSK 3351/4885MCL1 1003/4885
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK CTSS 4023/4885CTSK 3078/4885MCL1 849/4885

“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.