SCHEMBL5599136

SCHEMBL5599136

O=S(=O)(Oc1ccccc1I)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.39
DRD3 P35462 7/20 0.39
DRD4 P21917 5/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
PTGS2 P35354 1/20 0.37
ELANE P08246 1/20 0.36
HTR1D P28221 2/20 0.36
HTR5A P47898 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
PPARG P37231 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
Iodide SCHEMBL29827459 0.98 DRD2 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1712875 0.86 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7023211 0.80 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL16926997 0.78 DRD2 (0.41) DRD2DRD3DRD4DRD1DRD5
SCHEMBL776669 0.78 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6937413 0.78 HSD11B1 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL32665489 0.78 ELANE (0.59) PTGS2ELANECA1CA2CA9
SCHEMBL14151031 0.78 DRD2 (0.35) DRD2DRD3DRD4DRD1DRD5
Iodobenzene SCHEMBL23309966 0.78 CA1 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5599606 0.77 CA1 (0.50) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852159-A Heterogeneous palladium-catalyzed selective bell wood coupling reaction and application thereof in Wilmofini intermediate synthesis 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-10-29 CN disclosed
CN-118666622-A Preparation method of biphenyl alkene 苏州大学 2024-09-20 CN disclosed
WO-2024187369-A1 PREPARATION METHOD FOR BIPHENYLENE 苏州大学 2024-09-19 WO disclosed
US-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-05-16 US disclosed
EP-4361162-A2 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE Takasago International Corporation (JP) 2024-05-01 EP disclosed
CN-116283923-A Preparation method of biaryl compound 杭州师范大学 2023-06-23 CN disclosed
CN-110809584-B 3D printing compound made of single resin by patterned exposure 阿莱恩技术有限公司 2022-08-05 CN disclosed
CN-105646134-B A kind of method of high selectivity iodine benzene-like compounds 广东工业大学 2018-12-14 CN disclosed
CN-105646134-A Method for high-selectivity synthesis of iodobenzene compounds 广东工业大学 2016-06-08 CN disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1322604-A1 DELTA 1-PYRROLINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP disclosed
WO-2002024644-A1 DELTA 1-PYRROLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 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 (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-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TDO2, SCO2, DUOX1 DRD2 1121/4885DRD3 1502/4885DRD4 667/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 DRD2 2202/4885DRD3 1527/4885DRD4 1260/4885

“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.