SCHEMBL2900732

SCHEMBL2900732

[CH2]CCCOC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SOAT1 P35610 1/20 0.48
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 4/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ATM Q13315 1/20 0.35
TRPA1 O75762 1/20 0.34
NAAA Q02083 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL3118931 0.93 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL1557571 0.91 ALDH1A1 (0.54) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL2908555 0.86 ALDH1A1 (0.54) ALDH1A1LMNATSHRHPGDATM
SCHEMBL2906107 0.86 ALDH1A1 (0.43) ALDH1A1LMNATSHRHPGDATM
SCHEMBL2837201 0.86
SCHEMBL10344245 0.85 ALDH1A1 (0.72) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL7197469 0.85 ALDH1A1 (0.72) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL4853689 0.84 NAAA (0.52) ALDH1A1LMNATSHRHPGDATM
SCHEMBL6940068 0.83 ALDH1A1 (0.68) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL4848050 0.83 NAAA (0.55) ALDH1A1LMNATSHRNAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099729-A2 Mixtures of dispersive monoazo dyestuffs DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-05-16 EP claimed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
WO-2021214126-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-10-28 WO disclosed
CN-113226377-A Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2021-08-06 CN disclosed
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
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
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
WO-2007001066-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2007001067-A2 SOLID DOSAGE FORM COMPRISING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
EP-0460463-B1 Use of azo dyes in thermal transfer printing BASF AG (DE) 1994-12-14 EP disclosed
EP-0344487-B1 Azo dyes of the 5-aminoisothiazole series BASF AG (DE) 1993-12-29 EP disclosed
US-5200386-A Heating to deffuse from transfer sheet to plastic-coated substrate BASF AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US disclosed
EP-0460463-A1 Use of azo dyes in thermal transfer printing BASF Aktiengesellschaft (DE) 1991-12-11 EP disclosed
EP-0344487-A2 Azo dyes of the 5-aminoisothiazole series BASF Aktiengesellschaft (DE) 1989-12-06 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-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 (1 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 1514/4885SOAT1 1869/4885LMNA 2544/4885

“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.