SCHEMBL540806

SCHEMBL540806

CC(C)COC(=O)N=NC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL540805 1.00 TSHR (0.48) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15842868 0.91 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL3999436 0.91 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15843265 0.91 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15843266 0.91 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15842869 0.91 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL15843226 0.89 TSHR (0.41) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15843227 0.89 TSHR (0.41) TSHRALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL15843923 0.87 TSHR (0.39) TSHRALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL15843922 0.87 TSHR (0.39) TSHRALDH1A1TDP1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315599-B2 Functionalized polymers BRIDGESTONE CORPORATION (JP) 2016-04-19 US claimed
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2014-10-30 US claimed
WO-2014107447-A1 FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2014-07-10 WO claimed
US-20140187712-A1 FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2013-06-13 US claimed
EP-2560939-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES Actavis Group Ptc Ehf (IS) 2013-02-27 EP claimed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 WO claimed
CN-1262616-C Electronic device discharge coating and preparation method thereof BEIJING ATOM HIGH TECH APPLIC (CN) 2006-07-05 CN claimed
CN-1632008-A Electronic device discharge coating and preparation method thereof BEIJING ATOM HIGHTECH CO LTD (CN) 2005-06-29 CN claimed
US-6608216-B2 Preparing biaryl atropisomers; chirality transfer from stereogenic center of secondary alcohol to biaryl stereogenic axis via regioselective intramolecular migration ABBOTT LABORATORIES 2003-08-19 US claimed
US-20030073844-A1 Process for the preparation of chiral glucocorticoid receptor agents ABBOTT LABORATORIES 2003-04-17 US claimed
WO-2003002548-A1 A PROCESS FOR THE PREPARATION OF CHIRAL GLUCOCORTICOID RECEPTOR AGENTS ABBOTT LABORATORIES (US) 2003-01-09 WO claimed
US-12286455-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2025-04-29 US disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 EP disclosed
WO-2003000646-A1 SUBSTITUTED AROMATIC ETHERS AS INHIBITORS OF GLYCINE TRANSPORT PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
EP-0581618-B1 Rubber composition and production thereof SUMITOMO CHEMICAL CO (JP) 1997-06-18 EP disclosed
US-5362794-A Butadiene-styrene rubber, azodocarboxylic ester; automobile tires SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1994-11-08 US disclosed
EP-0581618-A1 Rubber composition and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-02-02 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 (5 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-20030073844-A1 Process for the preparation of chiral glucocorticoid receptor agents NR3C1, NR3C2, MC2R TSHR 210/4885ALDH1A1 3217/4885TDP1 4823/4885
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT TSHR 1050/4885ALDH1A1 2075/4885TDP1 768/4885
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT TSHR 1050/4885ALDH1A1 2075/4885TDP1 768/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 TSHR 4360/4885ALDH1A1 3575/4885TDP1 727/4885
US-12286455-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP TSHR 3518/4885ALDH1A1 3037/4885TDP1 1835/4885

“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.