SCHEMBL2293423

SCHEMBL2293423

Cc1cccc(C)c1OCc1cc(OS(=O)(=O)C(F)(F)F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HTR1D P28221 5/20 0.36
HTR1A P08908 4/20 0.36
HTR1B P28222 4/20 0.36
FFAR1 O14842 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
SCN8A Q9UQD0 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
SCHEMBL2289782 0.86 THRA (0.38) THRATHRBFFAR4
SCHEMBL2287492 0.85 THRA (0.38) THRATHRBHTR1DFFAR1FFAR4
SCHEMBL2288070 0.83 POLB (0.37) HTR1DHTR1AHTR1BFFAR1CA1
SCHEMBL2294687 0.82 SCN8A (0.46) THRATHRBFFAR4SCN8A
SCHEMBL2295545 0.81 MEN1 (0.45) CA2DRD2DRD3DRD1DRD4
SCHEMBL2939836 0.80 SCN8A (0.37) THRATHRBFFAR1FFAR4SCN8A
SCHEMBL2292544 0.80 THRA (0.37) THRATHRBFFAR1FFAR4SCN8A
SCHEMBL2294114 0.79 SCN8A (0.43) THRATHRBHTR1ASCN8A
Benzene SCHEMBL2294675 0.79 THRA (0.45) THRATHRBFFAR4
SCHEMBL2290427 0.78 THRA (0.41) THRATHRBFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 THRA 3834/4885THRB 4314/4885HTR1D 488/4885

“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.