SCHEMBL4547565

SCHEMBL4547565

CC(C)(C)NCCOCC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.36
CES2 O00748 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RAB9A P51151 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
SCHEMBL4402902 0.96 KDM4E (0.43) KDM4EALDH1A1GAACES2POLB
SCHEMBL20128726 0.96 KDM4E (0.43) KDM4EALDH1A1GAACES2POLB
SCHEMBL20133152 0.96 KDM4E (0.43) KDM4EALDH1A1GAACES2POLB
SCHEMBL27408407 0.96 KDM4E (0.43) KDM4EALDH1A1GAACES2POLB
SCHEMBL13029060 0.89 CES2 (0.44) KDM4EALDH1A1GAACES2POLB
SCHEMBL20993534 0.87 KDM4E (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL20234227 0.86 KDM4E (0.37) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL20805331 0.85 CES2 (0.46) KDM4EALDH1A1GAACES2POLB
SCHEMBL12980779 0.84 KDM4E (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL10046329 0.84 KDM4E (0.38) KDM4EALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
US-20210347709-A1 RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-11-11 US disclosed
US-9487556-B2 Polyconjugates for delivery of RNAi triggers to tumor cells in vivo Arrowhead Pharmaceuticals, Inc. (US) 2016-11-08 US disclosed
US-20160271156-A1 ANTI-CANCER COMPOUNDS AND METHODS FOR TREATING CANCER UNIV YALE (US) 2016-09-22 US disclosed
US-9346846-B1 Anti-cancer compounds and methods for treating cancer YALE UNIVERSITY (US) 2016-05-24 US disclosed
US-20160082112-A1 SYNTHETIC ANTIBODY MIMETIC COMPOUNDS (SYAMS) TARGETING CANCER, ESPECIALLY PROSTATE CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
US-9005575-B2 Arg-Gly-Asp-conjugated alpha-melanocyte stimulating hormone hybrid peptide for use in diagnosing and treating melanoma, including metastatic melanoma and methods related to same STC.UNM (US) 2015-04-14 US disclosed
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2015-02-12 US disclosed
US-20120107237-A1 ARG-GLY-ASP-CONJUGATED ALPHA-MELANOCYTE STIMULATING HORMONE HYBRID PEPTIDE FOR USE IN DIAGNOSING AND TREATING MELANOMA, INCLUDING METASTATIC MELANOMA AND METHODS RELATED TO SAME STC.UNM (US) 2012-05-03 US disclosed
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-11-11 US disclosed
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 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 (9 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KDM4E 4122/4885ALDH1A1 2370/4885GAA 1370/4885
US-20160082112-A1 SYNTHETIC ANTIBODY MIMETIC COMPOUNDS (SYAMS) TARGETING CANCER, ESPECIALLY PROSTATE CANCER CD47, FCGR1A, FCGR2A KDM4E 2155/4885ALDH1A1 3701/4885GAA 1108/4885
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR KDM4E 1014/4885ALDH1A1 4683/4885GAA 453/4885
US-20160271156-A1 ANTI-CANCER COMPOUNDS AND METHODS FOR TREATING CANCER POLM, FOLR1, TYMP KDM4E 4093/4885ALDH1A1 3781/4885GAA 679/4885
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 KDM4E 4481/4885ALDH1A1 1992/4885GAA 114/4885
US-20210347709-A1 RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA LGALS3BP, HDGF, LGALS3 KDM4E 3826/4885ALDH1A1 4235/4885GAA 3060/4885
US-20120107237-A1 ARG-GLY-ASP-CONJUGATED ALPHA-MELANOCYTE STIMULATING HORMONE HYBRID PEPTIDE FOR USE IN DIAGNOSING AND TREATING MELANOMA, INCLUDING METASTATIC MELANOMA AND METHODS RELATED TO SAME MC1R, MC3R, MC4R KDM4E 3634/4885ALDH1A1 4408/4885GAA 3528/4885
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 KDM4E 4481/4885ALDH1A1 1992/4885GAA 114/4885
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE EPOR, TTPA, PDS5A KDM4E 4450/4885ALDH1A1 859/4885GAA 391/4885

“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.