SCHEMBL13246740

SCHEMBL13246740

CC(C)C1CCC(CCCC(=O)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
ALOX5 P09917 1/20 0.33
TP53 P04637 1/20 0.32
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
FAAH O00519 2/20 0.31
REN P00797 1/20 0.31
HCRTR2 O43614 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 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
SCHEMBL26203939 0.82 MAPT (0.41) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL2487896 0.82 MAPT (0.53) MAPTALOX5TP53KDM5AKDM7A
SCHEMBL15177328 0.82 MAPT (0.41) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL26203937 0.82 MAPT (0.41) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL13267646 0.79 MAPT (0.43) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL26229424 0.79 MAPT (0.43) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL4179282 0.78 CYP1A2 (0.48) KDM5AKDM4CPHF8KDM2A
SCHEMBL26204592 0.78 MAPT (0.39) MAPTPTGS1PTGS2ALOX5TP53
SCHEMBL4170837 0.77 POLB (0.41) MAPTPTGS1PTGS2ALOX5FAAH
SCHEMBL11669567 0.76 MAPT (0.38) MAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-05 US disclosed
US-9758522-B2 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-12 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION Dana-Farber Cancer, Institute, Inc. (US) 2015-10-01 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (5 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-20150274738-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 MAPT 1672/4885PTGS1 2081/4885PTGS2 2696/4885
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 MAPT 4574/4885PTGS1 1386/4885PTGS2 2215/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 MAPT 4574/4885PTGS1 1386/4885PTGS2 2215/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 MAPT 1672/4885PTGS1 2081/4885PTGS2 2696/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 MAPT 4574/4885PTGS1 1386/4885PTGS2 2215/4885

“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.