SCHEMBL133872

SCHEMBL133872

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
KCNA5 P22460 1/20 0.31
TET2 Q6N021 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1413253 0.77 MGAM (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL8899182 0.77 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL3249891 0.77 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL11274143 0.77 ZDHHC7 (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL27562342 0.76 TRPA1 (0.33) ALDH1A1TRPA1
SCHEMBL11495744 0.76 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL8896554 0.76 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL1444812 0.74 TET2 (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL12451759 0.74 MGAM (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL27848612 0.74 TSHR (0.39) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116539780-A Method for simultaneously detecting aminolevulinic acid hydrochloride intermediate and 5 impurities 湖南先施制药有限公司 2023-08-04 CN disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
EP-2547666-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES Bio-Rad Laboratories, Inc. (US) 2013-01-23 EP disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
WO-2011115802-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2011-09-22 WO disclosed
WO-2011115802-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2011-09-22 WO disclosed
US-7339073-B2 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT SVEN 2008-03-04 US disclosed
US-20050070727-A1 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT DR SVEN (DE) 2005-03-31 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-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE CYP24A1, PTMS, CYP27B1 TSHR 3547/4885HSD17B10 85/4885MGAM 3289/4885
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES CYP24A1, PTMS, CYP27B1 TSHR 3556/4885HSD17B10 83/4885MGAM 3454/4885

“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.