SCHEMBL27093552

SCHEMBL27093552

C=CC(=O)Oc1ccccc1CBr

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.60
THRA P10827 1/20 0.60
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYMS P04818 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LIG1 P18858 1/20 0.36
TGM2 P21980 1/20 0.34
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AKT1 P31749 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL11240569 0.86 THRB (0.63) THRBTHRAKDM4EMAPTHPGD
SCHEMBL146450 0.84 THRB (0.70) THRBTHRAKDM4EMAPTHPGD
SCHEMBL6219545 0.84 THRB (0.61) THRBTHRAKDM4EMAPTHPGD
SCHEMBL2855272 0.83 THRB (0.60) THRBTHRAKDM4EMAPTHPGD
SCHEMBL311912 0.83 THRA (0.60) THRBTHRAKDM4EALDH1A1TSHR
SCHEMBL28620207 0.83 THRB (0.60) THRBTHRAKDM4EMAPTHPGD
SCHEMBL4596410 0.82 THRB (0.59) THRBTHRAKDM4EMAPTHPGD
SCHEMBL10523686 0.82 THRB (0.75) THRBTHRATYMSPTGS2
SCHEMBL27461371 0.81 THRB (0.58) THRBTHRAKDM4EMAPTHPGD
SCHEMBL29413361 0.81 THRB (0.56) THRBTHRAKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
EP-4324825-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Beijing Best Pathway Management Consulting Center (Limited Partnership) (CN) 2024-02-21 EP disclosed
CN-116903581-A SHP2/HDAC double-target inhibitor and preparation method and application thereof 山东大学 2023-10-20 CN disclosed
CN-116589464-A Pyrimidine ring compound, preparation method and application thereof 上海科技大学 2023-08-15 CN disclosed
CN-115215823-A FXR (FXR) regulator and preparation method, pharmaceutical composition and application thereof 青岛睿吉医疗技术有限公司 2022-10-21 CN disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
CN-113166081-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
CN-110551067-B Multi-target tacrine derivative and preparation method and application thereof 山东大学 2020-09-08 CN disclosed
CN-110551067-A Multi-target tacrine derivative and preparation method and application thereof UNIV SHANDONG 2019-12-10 CN 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 (1 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-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 THRB 427/4885THRA 610/4885KDM4E 4074/4885

“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.