SCHEMBL2908555

SCHEMBL2908555

[CH2]CCCOC(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 5/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.41
ESR1 P03372 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 6/20 0.39

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
SCHEMBL4853689 0.93 NAAA (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL4855892 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL4848050 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL4856826 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL4852353 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL2906107 0.91 ALDH1A1 (0.43) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL2904163 0.91 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL9839017 0.89 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL37837 0.88 ALDH1A1 (0.67) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL696985 0.86 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US claimed
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same SHIN-ETSU CHEMICAL CO., LTD. 2006-09-28 US claimed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1919290-A2 METHODS AND PRODUCTS FOR TREATMENT OF DISEASES DMI Biosciences, Inc. (US) 2008-05-14 EP disclosed
EP-1898951-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER Daiichi Sankyo Company, Limited (JP) 2008-03-19 EP disclosed
EP-1253138-B1 Novel tertiary amine compounds having an ester structure and processes for preparing same SHINETSU CHEMICAL CO (JP) 2007-06-27 EP disclosed
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US disclosed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0391121-A1 Monoazo dyes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 EP disclosed
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4678476-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0222255-A2 Mixtures of blue disperse dyes and their use in dyeing polyesters CASSELLA Aktiengesellschaft (DE) 1987-05-20 EP disclosed
US-4496562-A 7-Substituted-3-cephem-4-carboxylic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 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 (2 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ALDH1A1 1514/4885TSHR 2112/4885HPGD 380/4885
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same HRH3, HRH4, HRH2 ALDH1A1 551/4885TSHR 2088/4885HPGD 1854/4885

“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.