SCHEMBL9972408

SCHEMBL9972408

O=C(CCCCC(=O)OCc1ccccc1)OCCOCCOC(=O)CCCCC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
APP P05067 1/20 0.46
HTT P42858 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL17637585 0.98 TDP1 (0.59) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL17084551 0.95 TDP1 (0.67) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL16594584 0.93 TDP1 (0.61) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL17084550 0.93 TDP1 (0.53) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL129136 0.93 TDP1 (0.53) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4201315 0.93 TDP1 (0.53) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL30426434 0.91 TDP1 (0.51) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL17763252 0.91 ALDH1A1 (0.55) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL16594851 0.90 TDP1 (0.61) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL21184519 0.90 TDP1 (0.61) TDP1ALDH1A1MAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2017-04-27 US disclosed
US-20160296600-A1 Relaxin Prodrugs ASCENDIS PHARMA RELAXIN DIVISION A/S (DK) 2016-10-13 US disclosed
US-20160296600-A1 Relaxin Prodrugs ASCENDIS PHARMA RELAXIN DIVISION A/S (DK) 2016-10-13 US disclosed
US-9457066-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-10-04 US disclosed
US-9457066-B2 Prodrugs comprising an insulin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-10-04 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
US-9278139-B2 Sterilization of biodegradable hydrogels ASCENDIS PHARMA A/S (DK) 2016-03-08 US disclosed
US-9173953-B2 Prodrugs containing an aromatic amine connected by an amido bond to a linker ASCENDIS PHARMA AS (DK) 2015-11-03 US disclosed
US-9173953-B2 Prodrugs containing an aromatic amine connected by an amido bond to a linker ASCENDIS PHARMA AS (DK) 2015-11-03 US disclosed
US-8986609-B2 Sterilization of biodegradable hydrogels ASCENDIS PHARMA A/S (DK) 2015-03-24 US disclosed
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2015-01-08 US disclosed
US-20120253071-A1 Sterilization of biodegradable hydrogels ASCENDIS PHARMA A/S (DK) 2012-10-04 US disclosed
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS ASCENDIS PHARMA A/S (DK) 2012-07-26 US disclosed
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS ASCENDIS PHARMA A/S (DK) 2012-07-26 US disclosed
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2012-06-21 US disclosed
US-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker ASCENDIS PHARMA A/S (DK) 2012-06-21 US disclosed
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2012-06-21 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 (10 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-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker DAO, DNPEP, DDC TDP1 1488/4885ALDH1A1 899/4885MAPK1 2078/4885
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA TDP1 2465/4885ALDH1A1 239/4885MAPK1 3294/4885
US-20120156259-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 TDP1 232/4885ALDH1A1 1053/4885MAPK1 2479/4885
US-20160296600-A1 Relaxin Prodrugs RXFP1, RXFP2, RXFP3 TDP1 1781/4885ALDH1A1 3629/4885MAPK1 3848/4885
US-20120184489-A1 PRODRUGS COMPRISING AN INSULIN LINKER CONJUGATE IAPP, IGF1R, INSR TDP1 3259/4885ALDH1A1 468/4885MAPK1 118/4885
US-20120183616-A1 LONG ACTING INSULIN COMPOSITION IAPP, INSR, GPR119 TDP1 4721/4885ALDH1A1 4742/4885MAPK1 2986/4885
US-20120253071-A1 Sterilization of biodegradable hydrogels USP3, USP30, USP4 TDP1 2333/4885ALDH1A1 664/4885MAPK1 3187/4885
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS PRAP1, LPXN, DNPEP TDP1 1450/4885ALDH1A1 2952/4885MAPK1 1207/4885
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs PTMS, PGLS, PAM TDP1 696/4885ALDH1A1 193/4885MAPK1 3635/4885
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA TDP1 2465/4885ALDH1A1 239/4885MAPK1 3294/4885

“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.