SCHEMBL854142

SCHEMBL854142

O=C1OC(=O)c2c(Br)cc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 3/20 0.41
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
AHR P35869 2/20 0.35
POLB P06746 1/20 0.34
PTPRC P08575 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
S100A4 P26447 1/20 0.32
CYP3A4 P08684 1/20 0.32
AR P10275 1/20 0.32
HTR6 P50406 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
SCHEMBL854471 0.79 TSHR (0.38) TSHRTDP1ALOX15
SCHEMBL31443779 0.79 ESR2 (0.44) CA1CA2CA7CA9TSHR
SCHEMBL30451169 0.79 TSHR (0.38) CA1CA2CA7CA9TSHR
SCHEMBL26183091 0.79 TSHR (0.38) CA1CA2CA7CA9TSHR
SCHEMBL23198934 0.79 TSHR (0.38) CA1CA2CA7CA9TSHR
SCHEMBL29768809 0.76 TSHR (0.42) CA1CA2CA7CA9TSHR
SCHEMBL127904 0.76 TSHR (0.42) CA1CA2CA7CA9TSHR
SCHEMBL18016212 0.75 ALDH1A1 (0.37) TSHRTDP1ALOX15CYP3A4ALDH1A1
SCHEMBL8174301 0.75 TTR (0.47) CA1CA2CA7CA9TSHR
SCHEMBL31443892 0.75 MAOB (0.41) TSHRTDP1ALOX15POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323137-A1 COMPOSITION FOR SEALING COATED ELECTRIC WIRE, AND COATED ELECTRIC WIRE TOAGOSEI CO. LTD. (JP) 2023-10-12 US disclosed
EP-3260509-B1 2-CYANOACRYLATE ADHESIVE COMPOSITION TOAGOSEI CO LTD (JP) 2021-04-07 EP disclosed
WO-2021060390-A1 COMPOSITION FOR COVERED-WIRE SEAL AND COVERED WIRE 東亞合成株式会社 2021-04-01 WO disclosed
CN-107250302-B 2-cyanoacrylate-based adhesive composition 东亚合成株式会社 2021-02-26 CN disclosed
US-10647888-B2 2-cyanoacrylate adhesive composition TOAGOSEI CO., LTD. (JP) 2020-05-12 US disclosed
CN-105849094-B The manufacture method of halogen-substituted phthalein 住友化学株式会社 2018-04-10 CN disclosed
US-20180037772-A1 2-CYANOACRYLATE ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2018-02-08 US disclosed
EP-3260509-A1 2-CYANOACRYLATE ADHESIVE COMPOSITION Toagosei Co., Ltd. (JP) 2017-12-27 EP disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-4564697-A HALOGENATED CYCLIC ANHYDRIDE,ALIPHATICPOLYOL, EPOXIDE POTASSIUM CARBOXYLATE ETHYL CORPORATION (US) 1986-01-14 US 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-10647888-B2 2-cyanoacrylate adhesive composition COL2A1, COL14A1, ICAM1 CA1 48/4885CA2 54/4885CA7 118/4885
US-20180037772-A1 2-CYANOACRYLATE ADHESIVE COMPOSITION COL2A1, COL14A1, ICAM1 CA1 48/4885CA2 54/4885CA7 118/4885

“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.