SCHEMBL2677950

SCHEMBL2677950

CCOC(=O)C(CC)O[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
AR P10275 1/20 0.34
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
TSHR P16473 1/20 0.32
PIN1 Q13526 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1100608 0.83 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL23130165 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5872657 0.79 TSHR (0.34) LMNAALOX15TSHR
SCHEMBL2992403 0.78 CTSS (0.34)
SCHEMBL7042625 0.77 NAAA (0.47) ALDH1A1LMNATSHRCA12CA1
SCHEMBL6379586 0.77
SCHEMBL6986841 0.77
SCHEMBL4418023 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5453624 0.76 TSHR (0.39) ALDH1A1LMNAHSD17B10TSHRCA12
SCHEMBL1100387 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344519-B1 SUBSTITUTED 4-(QUINOLIN-2-YL-METHOXY)PHENYL-ACETIC-ACID DERIVATIVES BAYER AG (DE) 1993-04-14 EP claimed
EP-0239445-B1 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDE OXIME DERIVATIVES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS MEDICINES ROUSSEL-UCLAF (FR) 1992-05-13 EP claimed
EP-0257296-A1 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives BAYER AG (DE) 1988-03-02 EP claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
EP-1728505-B1 PREPARATION WITH ELEVATED CONTENT TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP disclosed
EP-1728504-B1 EMULSION STABILIZER TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8173665-B2 I-pheny 1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2010-01-28 US disclosed
US-20080249147-A1 Emulsion-Stabilized Preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 US disclosed
US-20080234343-A1 Preparation with Elevated Content TAKEDA PHARMACEUTICAL COMPANY (JP) 2008-09-25 US disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 EP disclosed
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
US-4415494-A BLUE-TO-BLACK COLORFAST DISPERSE, NITRO DYES; DIAZOTIZING A P-NITROANILINE AND COUPLING WITH AN N-SUBSTITUTED 1-NAPHTHYLAMINE CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP 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 (4 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-20100022537-A1 I-PHENY 1-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE DERIVATIVES AND THEIR USE TNNI3, HIF1AN, TNNT2 ALDH1A1 742/4885LMNA 2115/4885HSD17B10 2830/4885
US-20080249147-A1 Emulsion-Stabilized Preparation LIPA, MGLL, SI ALDH1A1 2702/4885LMNA 3382/4885HSD17B10 826/4885
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 ALDH1A1 271/4885LMNA 2671/4885HSD17B10 938/4885
US-20080234343-A1 Preparation with Elevated Content SI, CEL, ABCB11 ALDH1A1 3799/4885LMNA 1856/4885HSD17B10 1246/4885

“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.