SCHEMBL2608093

SCHEMBL2608093

Cc1c(Br)cc(Br)c(C)c1-c1c(C)c(Br)cc(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NQO2 P16083 1/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.30
CA6 P23280 1/20 0.30
GAA P10253 1/20 0.30
ACP1 P24666 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL4819798 0.82 ALDH1A1 (0.44) TSHRCA2ALDH1A1CA1
SCHEMBL19995979 0.82 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL21218754 0.81 GAA (0.40) TSHRNQO2CA2CA4ALDH1A1
SCHEMBL549024 0.80 CA1 (0.46) TSHRNQO2CA2CA4ALDH1A1
SCHEMBL548051 0.76 CA2 (0.54) TSHRNQO2CA2CA4ALDH1A1
SCHEMBL24129828 0.73 MAPT (0.50) TSHRCA2ALDH1A1CA1GAA
SCHEMBL8374077 0.73 CA1 (0.46) TSHRNQO2CA2CA4ALDH1A1
SCHEMBL31026375 0.73 TSHR (0.31) TSHRNQO2CA2CA1
SCHEMBL2266180 0.73 CA2 (0.40) TSHRNQO2CA2CA4CA1
SCHEMBL12535917 0.73 TSHR (0.41) TSHRALDH1A1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174790-A1 CAPPED BISPHENOL POLYINDANE OLIGOMER AND COMPOSITION, METHOD OF MANUFACTURE, AND ARTICLES MADE THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2024-05-30 US disclosed
EP-4334376-A1 CAPPED BISPHENOL POLYETHER OLIGOMER AND COMPOSITION, METHOD OF MANUFACTURE, AND ARTICLES MADE THEREFROM SHPP Global Technologies B.V. (NL) 2024-03-13 EP disclosed
WO-2023166424-A1 COPOLYMERS DERIVED FROM DICYCLOPENTADIENE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-09-07 WO disclosed
WO-2023135460-A1 CAPPED POLY(PHENYLENE ETHER) AND CURABLE THERMOSETTING COMPOSITION COMPRISING THE SAME SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-07-20 WO disclosed
WO-2023073614-A1 COPOLYMERS DERIVED FROM DICYCLOPENTADIENE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-05-04 WO disclosed
WO-2023073558-A1 COPOLYMER FOR CROSS-LINKABLE NETWORKS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-05-04 WO disclosed
WO-2023067443-A1 GRAFT COPOLYMER AND CURABLE THERMOSETTING COMPOSITION COMPRISING THE SAME SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-04-27 WO disclosed
WO-2023067442-A1 LINEAR BLOCK COPOLYMER AND CURABLE THERMOSETTING COMPOSITION COMPRISING THE LINEAR BLOCK COPOLYMER SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-04-27 WO disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
EP-1661129-A1 LIMITED-PLAY RECORDABLE DATA STORAGE MEDIA AND ASSOCIATED METHODS OF MANUFACTURE GENERAL ELECTRIC COMPANY (US) 2006-05-31 EP disclosed
WO-2005024811-A1 LIMITED-PLAY RECORDABLE DATA STORAGE MEDIA AND ASSOCIATED METHODS OF MANUFACTURE GENERAL ELECTRIC COMPANY (US) 2005-03-17 WO 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-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 TSHR 4039/4885NQO2 1712/4885CA2 274/4885
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 TSHR 3994/4885NQO2 393/4885CA2 392/4885
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 TSHR 4039/4885NQO2 1712/4885CA2 274/4885
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 TSHR 4039/4885NQO2 1712/4885CA2 274/4885
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 TSHR 4039/4885NQO2 1712/4885CA2 274/4885

“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.