SCHEMBL830474

SCHEMBL830474

O=C(C(=O)c1ccccc1)C1=CCC(Br)(Br)C=C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 13/20 0.45
CES1 P23141 12/20 0.45
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.32
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL659657 0.85 ALDH1A1 (0.42) CES2CES1RAB9ALMNAMAPT
SCHEMBL6829479 0.82 CES2 (0.47) CES2CES1RAB9ALMNAMAPT
SCHEMBL6671451 0.82 CES2 (0.47) CES2CES1RAB9ALMNAMAPT
SCHEMBL28159138 0.81 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL1520841 0.81 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL5948412 0.78 CES2 (0.44) CES2CES1RAB9ALMNAMAPT
SCHEMBL8601696 0.78 RAB9A (0.44) CES2CES1RAB9ALMNAMAPT
SCHEMBL31120312 0.77 CES2 (0.41) CES2CES1RAB9ALMNAMAPT
SCHEMBL2942183 0.74 ALDH1A1 (0.40) LMNAMAPTATMALDH1A1GSK3B
SCHEMBL9212962 0.74 CES2 (0.38) CES2CES1RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876971-A Co (II) based metal organic framework as well as preparation method and application thereof UNIV SHANDONG NORMAL 2015-09-02 CN claimed
US-12180180-B1 4-[4,5-bis(4-bromophenyl)-1-hexyl-1H-imidazol-2-yl]isoquinolin-3-ol as an antimicrobial compound King Faisal University (SA) 2024-12-31 US disclosed
CN-113493445-B Imidazolyl spiro derivative with aggregation-induced emission property and application thereof 湖北大学 2022-10-28 CN disclosed
CN-113493445-A Imidazolyl spiro derivative with aggregation-induced emission property and application thereof 湖北大学 2021-10-12 CN disclosed
CN-104876971-B Based on Co(Ⅱ)Metal organic frame and preparation method and application 山东师范大学 2017-10-03 CN disclosed
CN-105713028-B A kind of solid-state phase transfer catalyst, preparation method and application based on Cd MOF 山东师范大学 2017-09-26 CN disclosed
CN-105713028-A Novel solid-state phase transfer catalyst based on Cd-MOF, method for preparing novel solid-state phase transfer catalyst and application thereof 山东师范大学 2016-06-29 CN disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
CN-104876971-A Co (II) based metal organic framework as well as preparation method and application thereof UNIV SHANDONG NORMAL 2015-09-02 CN disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (3 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 CES2 650/4885CES1 638/4885RAB9A 3557/4885
US-12180180-B1 4-[4,5-bis(4-bromophenyl)-1-hexyl-1H-imidazol-2-yl]isoquinolin-3-ol as an antimicrobial compound IRF3, IFNG, TLR4 CES2 4013/4885CES1 4139/4885RAB9A 1860/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 CES2 684/4885CES1 744/4885RAB9A 3455/4885

“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.