SCHEMBL8083397

SCHEMBL8083397

CC(C)(C)OC[C@H](O)CO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.39
AR P10275 3/20 0.37
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
VDR P11473 2/20 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
SCHEMBL116799 1.00 MAPK1 (0.56) MAPK1LMNAALDH1A1USP2AR
SCHEMBL12083370 1.00 MAPK1 (0.56) MAPK1LMNAALDH1A1USP2AR
Hydrochloric Acid SCHEMBL8201302 0.97 MAPK1 (0.54) MAPK1LMNAALDH1A1USP2AR
SCHEMBL1982314 0.86 MAPK1 (0.65) MAPK1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6269634 0.84 LMNA (0.40) MAPK1LMNAALDH1A1USP2AR
SCHEMBL6034519 0.82 LMNA (0.38) MAPK1LMNAALDH1A1USP2AR
SCHEMBL9309371 0.81 MAPK1 (0.59) MAPK1ALDH1A1USP2KDM4EMEN1
SCHEMBL9965260 0.81 MAPK1 (0.39) MAPK1USP2ARVDR
SCHEMBL14901102 0.79 MAPK1 (0.56) MAPK1ALDH1A1KDM4ETSHRTDP1
SCHEMBL2609782 0.79 MAPK1 (0.56) MAPK1ALDH1A1KDM4ETSHRTDP1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272623-A1 FORMATION OF MACROMOLECULES USING ITERATIVE GROWTH AND RELATED COMPOUNDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-22 US disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 US disclosed
US-9206174-B2 5-anilinoimidazopyridines and methods of use GENENTECH, INC. (US) 2015-12-08 US disclosed
US-9206174-B2 5-anilinoimidazopyridines and methods of use GENENTECH, INC. (US) 2015-12-08 US disclosed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-04 US disclosed
US-8492427-B2 Isoindolones derivatives as MEK kinase inhibitors and methods of use GENENTECH, INC. (US) 2013-07-23 US disclosed
US-8492427-B2 Isoindolones derivatives as MEK kinase inhibitors and methods of use GENENTECH, INC. (US) 2013-07-23 US disclosed
US-8486963-B2 Azaindolizines and methods of use GENENTECH, INC. (US) 2013-07-16 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof ARRAY BIOPHARMA, INC. (US) 2008-11-13 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080108816-A1 PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 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 (8 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 MAPK1 4/4885LMNA 2872/4885ALDH1A1 1154/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI MAPK1 42/4885LMNA 1746/4885ALDH1A1 1224/4885
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof BRAF, NRAS, MAP3K1 MAPK1 27/4885LMNA 2319/4885ALDH1A1 2121/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 MAPK1 4/4885LMNA 3058/4885ALDH1A1 1140/4885
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE AR, SHBG, ESRRA MAPK1 4052/4885LMNA 611/4885ALDH1A1 438/4885
US-20080108816-A1 PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE DPP4, DPP7, DPP3 MAPK1 2236/4885LMNA 2784/4885ALDH1A1 98/4885
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, MAP3K5, MAPKAPK5 MAPK1 10/4885LMNA 1442/4885ALDH1A1 829/4885
US-20160272623-A1 FORMATION OF MACROMOLECULES USING ITERATIVE GROWTH AND RELATED COMPOUNDS IGFBP6, IGFBP1, PGF MAPK1 3012/4885LMNA 2460/4885ALDH1A1 2890/4885

“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.