SCHEMBL2293620

SCHEMBL2293620

Cc1cccc(C)c1OCc1cc(CN(C)C)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR7 P34969 2/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
CCR5 P51681 1/20 0.36
MAPK14 Q16539 2/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN4A P35499 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
SCHEMBL2294677 0.88 BCHE (0.41) THRATHRBHRH3HTR7TSHR
SCHEMBL2287448 0.85 SCN4A (0.37) THRATHRBTSHRFFAR4SCN8A
SCHEMBL2287346 0.83 HRH3 (0.38) THRATHRBHRH3HTR7TSHR
SCHEMBL2290430 0.83 THRA (0.40) THRATHRBTSHRFFAR4SCN8A
SCHEMBL3154292 0.82 HTR7 (0.37) THRATHRBHTR7TSHRCCR5
SCHEMBL2290297 0.82 THRA (0.40) THRATHRBTSHRFFAR4SCN8A
SCHEMBL2293554 0.81 THRA (0.39) THRATHRBTSHRFFAR4SCN8A
SCHEMBL2289742 0.80 TSHR (0.39) HTR7TSHRMAPK14NOS1NOS2
SCHEMBL2292751 0.78 THRA (0.40) THRATHRBTSHRFFAR4SCN8A
SCHEMBL2293789 0.76 ALDH1A1 (0.42) THRATHRBFFAR4SCN8ASLC6A4

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 4314/4885HRH3 287/4885

“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.