SCHEMBL4383913

SCHEMBL4383913

CC(C)CC[CH]CCC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 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
SCHEMBL7995031 0.81 LMNA (0.35)
SCHEMBL3291300 0.81 TSHR (0.31)
SCHEMBL8618134 0.77
SCHEMBL8526661 0.77
SCHEMBL181307 0.72
SCHEMBL1932322 0.70
SCHEMBL423846 0.70 LMNA (0.41) MEN1CYP3A4ALOX15KMT2A
SCHEMBL893441 0.70 MEN1 (0.30) MEN1CYP3A4ALOX15KMT2A
SCHEMBL7045976 0.70 TSHR (0.32)
Ammonia Solution, Strong SCHEMBL8747229 0.69 RIPK1 (0.41) MEN1CYP3A4ALOX15KMT2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349115-B A kind of double phenyl hydrophobic monomers and the leak stopping gel based on the monomer 中国石油化工股份有限公司 2018-02-09 CN disclosed
CN-106349115-A Bis-phenyl hydrophobic monomer and plugging gel based on monomer 中国石油化工股份有限公司 2017-01-25 CN disclosed
EP-2443087-B1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS OMEGACHEM INC (CA) 2016-06-08 EP disclosed
US-8642798-B2 Silacycle compounds and methods of use thereof THE TRUSTEE OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-04 US disclosed
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
US-20090298864-A1 Methods for Treating Mild Cognitive Impairment THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-12-03 US disclosed
US-20080167468-A1 using the diastereomeric mixture of Silacycle Compounds for stereoselective synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-07-10 US disclosed
US-20080138282-A1 imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
WO-2006110588-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-10-19 WO disclosed
WO-2005120584-A2 RADIOLABELED ARYLSULFONYL COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-12-22 WO disclosed
WO-2005077176-A1 ANTHOCYANIN COMPOUNDS AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-08-25 WO 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 (4 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-20080138282-A1 imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases PTGES2, PTGES, PTGS2 MEN1 2642/4885CYP3A4 683/4885ALOX15 31/4885
US-20080167468-A1 using the diastereomeric mixture of Silacycle Compounds for stereoselective synthesis LSS, CYP51A1, DHPS MEN1 741/4885CYP3A4 103/4885ALOX15 708/4885
US-20090298864-A1 Methods for Treating Mild Cognitive Impairment CHAT, PSEN2, PSEN1 MEN1 4381/4885CYP3A4 3642/4885ALOX15 906/4885
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A MEN1 593/4885CYP3A4 779/4885ALOX15 524/4885

“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.