SCHEMBL16938121

SCHEMBL16938121

C/C(=N\OC(C)(C)C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL19224357 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12744706 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24450768 0.78
SCHEMBL800192 0.75
SCHEMBL9944315 0.73
SCHEMBL14480127 0.73
SCHEMBL2612738 0.73
SCHEMBL16091128 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25045728 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7593328 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 US disclosed
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 US disclosed
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20220168433-A1 PROGRAMMABLE POLYMERIC DRUGS Sony Group Corporation (JP) 2022-06-02 US disclosed
US-20220168435-A1 PROGRAMMABLE POLYMERIC DRUGS SONY CORPORATION (JP) 2022-06-02 US disclosed
US-20220160887-A1 PROGRAMMABLE POLYMERIC DRUGS Sony Group Corporation (JP) 2022-05-26 US disclosed
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS CHINOOK THERAPEUTICS, INC. 2021-06-10 US disclosed
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-01-21 US disclosed
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 US disclosed
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. 2016-03-03 US disclosed
US-9090629-B2 Cytotoxic agents comprising new ansamitocin derivatives IMMUNOGEN, INC. (US) 2015-07-28 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 (13 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-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, SLC46A1, SLC19A1 ALDH1A1 2710/4885
US-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES CD47, PLPBP, CHERP ALDH1A1 4114/4885
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES MLNR, ANXA6, ANXA4 ALDH1A1 1107/4885
US-20220160887-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, NCL, PBRM1 ALDH1A1 2462/4885
US-20220168433-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, PBRM1, CHRM2 ALDH1A1 2485/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ALDH1A1 3212/4885
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS STING1, TLR9, TLR3 ALDH1A1 4425/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP ALDH1A1 3311/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB ALDH1A1 1924/4885
US-20220168435-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, PBRM1, CHRM2 ALDH1A1 2451/4885
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, TK1, MSN ALDH1A1 3627/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN ALDH1A1 3627/4885
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION M6PR, ASGR1, IGF2R ALDH1A1 3684/4885

“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.