SCHEMBL521688

SCHEMBL521688

COC(=O)c1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
GCGR P47871 1/20 0.41
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PKM P14618 2/20 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
SCHEMBL521682 0.87 TSHR (0.46) TSHRMAPK1GCGRMAPTRECQL
SCHEMBL522175 0.84 TSHR (0.61) TSHRMAPK1MAPTRECQLCA12
SCHEMBL23169065 0.83 TSHR (0.53) TSHRMAPK1MAPTRECQLCA12
SCHEMBL1719721 0.82 TSHR (0.59) TSHRMAPK1MAPTRECQLCA12
SCHEMBL5482700 0.82 TSHR (0.51) TSHRMAPK1GCGRMAPTRECQL
SCHEMBL9766021 0.82 TSHR (0.51) TSHRMAPK1GCGRMAPTRECQL
SCHEMBL523238 0.80 ESR1 (0.46) TSHRMAPK1MAPTRECQLCA12
SCHEMBL9874822 0.80 TSHR (0.50) TSHRMAPK1MAPTRECQLCA12
SCHEMBL7198377 0.80 TSHR (0.57) TSHRMAPK1MAPTRECQLCA12
SCHEMBL11288719 0.79 TSHR (0.49) TSHRMAPK1GCGRMAPTRECQL

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1636949-A Preparation method of pyrethroid compound intermediate JIANGSU YANGNONG CHEMICAL CO L (CN) 2005-07-13 CN claimed
CN-113797977-B Ruthenium catalyst and application thereof 沈阳中化农药化工研发有限公司 2022-11-29 CN disclosed
CN-113797977-A Ruthenium catalyst and application thereof 沈阳中化农药化工研发有限公司 2021-12-17 CN disclosed
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-102365255-A Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
CN-102365254-A Method for producing alcohol compound SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
CN-100366591-C Preparation method of pyrethroid compound intermediate JIANGSU YANGNONG CHEMICAL CO L (CN) 2008-02-06 CN 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 (2 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 2221/4885MAPK1 3196/4885GCGR 2442/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 TSHR 2411/4885MAPK1 2681/4885GCGR 1306/4885

“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.