SCHEMBL6402098

SCHEMBL6402098

COC(=O)CC1(Br)C=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL3387702 0.79 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3387698 0.79 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL3391782 0.79 TP53 (0.33) TP53TSHRHSD17B10MGAMGAA
SCHEMBL28709381 0.76 TP53 (0.32) TP53TSHR
SCHEMBL27650404 0.71 TDP1 (0.36)
SCHEMBL9515489 0.70
SCHEMBL8077526 0.70 MEN1 (0.32)
SCHEMBL229064 0.70
SCHEMBL467690 0.69
SCHEMBL27650410 0.69 TDP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 WO disclosed
US-6919389-B2 Polymer compositions containing benzimidazole based stabilizer compounds CROMPTON CORPORATION (US) 2005-07-19 US disclosed
US-20040180995-A1 Polymer compositions containing benzimidazole based stabilizer compounds ADDIVANT USA, LLC 2004-09-16 US disclosed
EP-0927035-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0927035-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-07-07 EP disclosed
WO-1998010763-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-03-19 WO disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 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 (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-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TP53 3667/4885TSHR 4654/4885CYP3A4 1801/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TP53 3667/4885TSHR 4654/4885CYP3A4 1801/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TP53 3667/4885TSHR 4654/4885CYP3A4 1801/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TP53 3667/4885TSHR 4654/4885CYP3A4 1801/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TP53 3667/4885TSHR 4654/4885CYP3A4 1801/4885

“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.