SCHEMBL4413628

SCHEMBL4413628

CC(C)COC(=O)C(C)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 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
PMP22 Q01453 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
SCHEMBL4254691 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4676472 0.81 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL24594956 0.80 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL19978956 0.80 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL3683342 0.78 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL3679206 0.78 TDP1 (0.36) TSHRTDP1
SCHEMBL21811647 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL10030163 0.78 MAPT (0.46) TSHRALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL41548 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL21811604 0.78 ZDHHC7 (0.31) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 US disclosed
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US disclosed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
EP-0023785-B1 QUINOXALINYLOXYPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-04-03 EP disclosed
US-4353736-A CROPS OF BARLEY, WHEAT, CORN, RICE OR COATS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
EP-0001804-B1 BETA-NAPHTHYL- AND BETA-TETRAHYDRONAPHTHYLPHENYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed
EP-0023785-A2 Quinoxalinyloxyphenoxyalkane carboxylic acid derivatives, their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-02-11 EP disclosed
EP-0001804-A1 Beta-naphthyl- and beta-tetrahydronaphthylphenyl ethers, process for their preparation and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-16 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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B TSHR 3804/4885ALDH1A1 916/4885SMN1; SMN2 334/4885
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA TSHR 3352/4885ALDH1A1 360/4885SMN1; SMN2 3340/4885
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA TSHR 3352/4885ALDH1A1 360/4885SMN1; SMN2 3340/4885
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA TSHR 3352/4885ALDH1A1 360/4885SMN1; SMN2 3340/4885

“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.