SCHEMBL731054

SCHEMBL731054

COc1cc(/C=C/C(=O)O)ccc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 3/20 0.73
HSD17B10 Q99714 3/20 0.73
HPGD P15428 2/20 0.73
ALOX15 P16050 1/20 0.73
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PKM P14618 2/20 0.69
SNCA P37840 2/20 0.69
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA3 P07451 1/20 0.69
CSNK2A2 P19784 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CSNK2B P67870 1/20 0.69
CSNK2A1 P68400 1/20 0.69

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
SCHEMBL30853135 1.00 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL731055 1.00 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL4188471 0.87 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL4188465 0.87 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL20456002 0.86 EPHX2 (0.70) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL30290009 0.86 EPHX2 (0.70) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL24968393 0.85 GSK3B (0.64) KDM4EALDH1A1HSD17B10HPGDALOX15
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDALOX15
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDALOX15
O,O'-Dimethylcaffeic Acid SCHEMBL29636389 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240191211-A1 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION 2024-06-13 US disclosed
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2023-11-09 US disclosed
WO-2023215497-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
CN-108840871-B 13-hydroxy cytisine cinnamate compound with anti-tumor activity and preparation method thereof 西安泰科迈医药科技股份有限公司 2021-12-17 CN disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 US disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 US disclosed
US-10233183-B1 13-hydroxysparteine cinnamic acid derivatives with anti-tumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-03-19 US disclosed
EP-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
EP-2079479-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
EP-1913016-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 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 (6 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-10233183-B1 13-hydroxysparteine cinnamic acid derivatives with anti-tumor activities and a method of preparing the same CYP51A1, CYP46A1, HSD17B13 KDM4E 4042/4885ALDH1A1 175/4885HSD17B10 62/4885
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF BTD, HLCS, TYR KDM4E 1476/4885ALDH1A1 268/4885HSD17B10 4239/4885
US-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 KDM4E 4055/4885ALDH1A1 1274/4885HSD17B10 1806/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 KDM4E 4055/4885ALDH1A1 1274/4885HSD17B10 1806/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 KDM4E 4041/4885ALDH1A1 1184/4885HSD17B10 1921/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 KDM4E 3305/4885ALDH1A1 1967/4885HSD17B10 2530/4885

“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.