SCHEMBL774640

SCHEMBL774640

Cc1cc(C)c(NCc2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IDH1 O75874 1/20 0.32
ACHE P22303 2/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
HBB P68871 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL774936 0.83 ALDH1A1 (0.41) LPLLIPGGAAMEN1KMT2A
SCHEMBL16176982 0.82 LPL (0.36) LPLLIPGCYP1A2MEN1KMT2A
SCHEMBL12822400 0.77 MEN1 (0.41) LPLLIPGGAACYP1A2MEN1
SCHEMBL775430 0.77 KDM4E (0.36) LPLLIPGMEN1KMT2AKDM4E
SCHEMBL26621923 0.76 LPL (0.41) LPLLIPGGAACYP1A2CYP2A6
SCHEMBL12822237 0.75 NFKB1 (0.40) LPLLIPGGAAMEN1KMT2A
SCHEMBL775018 0.74 LPL (0.40) LPLLIPGGAACYP2A6KMT2A
SCHEMBL18662581 0.74 LPL (0.40) LPLLIPGGAACYP2A6KMT2A
SCHEMBL774348 0.74 CYP1A2 (0.46) LPLLIPGCYP1A2CYP2A6MEN1
SCHEMBL30149369 0.74 CYP1A2 (0.46) LPLLIPGCYP1A2CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989130-B1 PYRIDYLDIAMIDE METAL CATALYSTS AND PROCESSES TO PRODUCE POLYOLEFINS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-15 EP disclosed
US-9321858-B2 Pyridyldiamide metal catalysts and processes to produce polyolefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 US disclosed
EP-2989130-A1 PYRIDYLDIAMIDE METAL CATALYSTS AND PROCESSES TO PRODUCE POLYOLEFINS ExxonMobil Chemical Patents Inc. (US) 2016-03-02 EP disclosed
WO-2014176187-A1 PYRIDYLDIAMIDE METAL CATALYSTS AND PROCESSES TO PRODUCE POLYOLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-30 WO disclosed
US-20140316089-A1 Pyridyldiamide Metal Catalysts and Processes to Produce Polyolefins EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US disclosed
US-8710163-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-04-29 US 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
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

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-20110301310-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK LPL 3171/4885LIPG 3759/4885GAA 2922/4885
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK LPL 3171/4885LIPG 3759/4885GAA 2922/4885

“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.