SCHEMBL126769

SCHEMBL126769

CC(C)NCCSSCCOC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL25950253 0.88 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL454478 0.86 ALDH1A1 (0.35) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13430817 0.84 HDAC3 (0.36)
SCHEMBL12608885 0.84 ADRB2 (0.36)
SCHEMBL19728773 0.81 HDAC3 (0.32)
SCHEMBL12438076 0.81 KDM4E (0.36) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL21566545 0.76 MEN1 (0.36) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL25952675 0.76 TSHR (0.40)
SCHEMBL25679031 0.75 HDAC3 (0.33)
SCHEMBL24054601 0.74 LMNA (0.38) KDM4ECYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285576-A1 TREATMENT OF CANCER USING A CYCLODEXTRIN-CONTAINING POLYMER-TOPOISOMERASE INHIBITOR CONJUGATE AND A PARP INHIBITOR ELLIPSES PHARMA LTD (GB) 2023-09-14 US disclosed
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
US-20210317235-A1 METHODS AND SYSTEMS FOR POLYMER PRECIPITATION AND GENERATION OF PARTICLES NOVARTIS AG (CH) 2021-10-14 US disclosed
US-20210154308-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY NOVARTIS AG (CH) 2021-05-27 US disclosed
US-20200375978-A1 TREATMENT OF CANCER ELLIPSES PHARMA LIMITED (GB) 2020-12-03 US disclosed
US-20180117168-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY COLE RODERIC O (US) 2018-05-03 US disclosed
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2018-01-18 US disclosed
US-20180008719-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-11 US disclosed
US-20170362346-A1 METHODS AND SYSTEMS FOR POLYMER PRECIPITATION AND GENERATION OF PARTICLES CERULEAN PHARMA INC (US) 2017-12-21 US disclosed
US-9610360-B2 Polymer drug conjugates with tether groups for controlled drug delivery CERULIEAN PHARMA INC. (US) 2017-04-04 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 US disclosed
US-20110282047-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2011-11-17 US disclosed
US-20110245201-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-10-06 US disclosed
US-20110245201-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-10-06 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
US-20110160159-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-06-30 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 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 (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-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 KDM4E 4601/4885CYP1A2 3222/4885CYP2D6 2121/4885
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 KDM4E 1873/4885CYP1A2 4130/4885CYP2D6 4510/4885
US-20210154308-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY CD44, MSN, ABCB1 KDM4E 3228/4885CYP1A2 2986/4885CYP2D6 945/4885
US-20230285576-A1 TREATMENT OF CANCER USING A CYCLODEXTRIN-CONTAINING POLYMER-TOPOISOMERASE INHIBITOR CONJUGATE AND A PARP INHIBITOR PARP1, TOP1, PARP2 KDM4E 1012/4885CYP1A2 1211/4885CYP2D6 1392/4885
US-20200375978-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B KDM4E 2821/4885CYP1A2 2158/4885CYP2D6 3224/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 KDM4E 4601/4885CYP1A2 3222/4885CYP2D6 2121/4885
US-20180008719-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY CD44, MSN, ABCB1 KDM4E 3228/4885CYP1A2 2986/4885CYP2D6 945/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 KDM4E 2688/4885CYP1A2 4585/4885CYP2D6 3781/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 KDM4E 3474/4885CYP1A2 4517/4885CYP2D6 3485/4885
US-20110160159-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B KDM4E 2821/4885CYP1A2 2158/4885CYP2D6 3224/4885
US-20180117168-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY JAK2, JAK3, JAK1 KDM4E 2677/4885CYP1A2 4267/4885CYP2D6 3277/4885
US-20110245201-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B KDM4E 2821/4885CYP1A2 2158/4885CYP2D6 3224/4885
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 KDM4E 4601/4885CYP1A2 3222/4885CYP2D6 2121/4885

“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.