SCHEMBL13596293

SCHEMBL13596293

CC(C)Nc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 4/20 0.45
THRB P10828 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 3/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 3/20 0.45
ALOX12 P18054 2/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
HIF1A Q16665 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL22472676 0.84 ESR1 (0.45) ESR1TDP1ALDH1A1THRBL3MBTL1
SCHEMBL13596292 0.80 MEN1 (0.54) ESR1L3MBTL1LMNATP53SMN1; SMN2
SCHEMBL13596299 0.80 MEN1 (0.54) ESR1L3MBTL1LMNATP53SMN1; SMN2
SCHEMBL2971862 0.78 TDP1 (0.54) ESR1TDP1ALDH1A1THRBL3MBTL1
SCHEMBL16240889 0.78 ESR1 (0.56) ESR1TDP1ALDH1A1THRBL3MBTL1
SCHEMBL6685103 0.76 ESR1 (0.74) ESR1TDP1ALDH1A1THRBCYP3A4
SCHEMBL39430 0.76 TDP1 (0.72) TDP1ALDH1A1THRBL3MBTL1CYP3A4
SCHEMBL7767529 0.76 TDP1 (0.52) TDP1ALDH1A1THRBL3MBTL1CYP3A4
SCHEMBL13233319 0.76 ESR1 (0.54) ESR1ALDH1A1THRBCYP3A4ALOX15
SCHEMBL18522799 0.75 TDP1 (0.42) TDP1ALDH1A1THRBL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381321-A1 CAMPTOTHECIN CONJUGATES SEAGEN INC. 2023-11-30 US disclosed
US-20230381321-A1 CAMPTOTHECIN CONJUGATES SEAGEN INC. 2023-11-30 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 US disclosed
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-10815194-B2 Process for the preparation of mono-protected α,ω-diamino alkanes BYONDIS B.V. (NL) 2020-10-27 US disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 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 (15 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ESR1 4575/4885TDP1 290/4885ALDH1A1 2514/4885
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD ESR1 4531/4885TDP1 175/4885ALDH1A1 2365/4885
US-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ESR1 3967/4885TDP1 2762/4885ALDH1A1 3311/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ESR1 4575/4885TDP1 290/4885ALDH1A1 2514/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ESR1 3967/4885TDP1 2762/4885ALDH1A1 3311/4885
US-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES DCUN1D4, CD14, DCUN1D3 ESR1 2737/4885TDP1 3961/4885ALDH1A1 2550/4885
US-10815194-B2 Process for the preparation of mono-protected α,ω-diamino alkanes FCGRT, CD22, DEGS1 ESR1 3221/4885TDP1 3427/4885ALDH1A1 143/4885
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ESR1 4468/4885TDP1 3098/4885ALDH1A1 1219/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ESR1 4726/4885TDP1 1273/4885ALDH1A1 3212/4885
US-20230381321-A1 CAMPTOTHECIN CONJUGATES DCLRE1A, TOP2A, PAICS ESR1 4260/4885TDP1 741/4885ALDH1A1 1069/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ESR1 4575/4885TDP1 290/4885ALDH1A1 2514/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L ESR1 4406/4885TDP1 269/4885ALDH1A1 2235/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB ESR1 2968/4885TDP1 3796/4885ALDH1A1 1924/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ESR1 4575/4885TDP1 290/4885ALDH1A1 2514/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ESR1 4468/4885TDP1 3098/4885ALDH1A1 1219/4885

“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.