SCHEMBL697328

SCHEMBL697328

[CH2]COC(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS1 P23219 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL25435787 0.87 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL37351 0.87 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
Ammonia Solution, Strong SCHEMBL9998248 0.85 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL1559410 0.82 TSHR (0.47) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL698512 0.80 MAPT (0.43) TSHRALDH1A1MAPT
SCHEMBL13133074 0.80 TSHR (0.48) TSHRTDP1MEN1LMNACYP3A4
Ethylene Glycol SCHEMBL14991179 0.80 TSHR (0.48) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL2907470 0.79 TSHR (0.44) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL304812 0.78
SCHEMBL17194018 0.78 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4

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 143 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
CN-118108899-A Curable resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
CN-118109069-A Resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
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
EP-2686296-B1 SUBSTITUTED 4-CYAN-3-(2,6-DIFLUOROPHENYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2018-09-26 EP disclosed
EP-2693878-B1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2018-06-27 EP disclosed
EP-2934136-B1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2018-03-14 EP disclosed
US-9661848-B2 Substituted 4-cyan-3-(pyridyl)-4-phenylbutanoates, method for the production thereof and uses as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2017-05-30 US disclosed
EP-2773614-B1 SUBSTITUTED 4.CYAN-3-(PHENYL-4-(PYRIDIN-3-YL) BUTANOATES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-11-30 EP disclosed
US-5189008-A Containing pyridone-type azo dye MITSUBISHI KASEI CORPORATION (JP) 1993-02-23 US disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US disclosed
EP-0442466-A1 Thermal transfer recording sheet and ink composition for producing the same Mitsubishi Chemical Corporation (JP) 1991-08-21 EP disclosed
EP-0441396-A1 Thermal transfer recording sheet and ink composition for producing the same MITSUBISHI KASEI CORPORATION (JP) 1991-08-14 EP disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed
EP-0165384-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-12-27 EP disclosed
US-4496562-A 7-Substituted-3-cephem-4-carboxylic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 US disclosed
EP-0069373-A1 (5R, 6R)-Penem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-01-12 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 (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-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same HRH3, HRH4, HRH2 TSHR 2088/4885TDP1 4270/4885MEN1 29/4885

“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.