SCHEMBL2289101

SCHEMBL2289101

CCCc1ccccc1OCc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
NISCH Q9Y2I1 1/20 0.51
ABCB1 P08183 5/20 0.47
IDO1 P14902 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL2290602 0.90 ALDH1A1 (0.51) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL2288392 0.86 ALDH1A1 (0.61) ALDH1A1NISCHABCB1IDO1NPC1
SCHEMBL2292356 0.85 FFAR4 (0.52) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL2290287 0.85 FFAR4 (0.55) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL18171756 0.83 ALDH1A1 (0.66) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL2292132 0.83 IDO1 (0.47) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL8622762 0.79 HTR1A (0.51) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL1838476 0.79 HTR1A (0.51) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL30436408 0.79 TAAR1 (0.60) ALDH1A1IDO1GAA
SCHEMBL466413 0.79 TAAR1 (0.60) ALDH1A1IDO1GAA

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 4 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
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
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 ALDH1A1 83/4885HTR1A 658/4885ADRA2A 2636/4885

“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.