SCHEMBL2291302

SCHEMBL2291302

Fc1c(F)c(F)c(OCc2ccccc2Br)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
ALDH1A1 P00352 3/20 0.46
PARP10 Q53GL7 1/20 0.45
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
AR P10275 1/20 0.37
LMNA P02545 1/20 0.36
ALPG P10696 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL2292269 0.80 IDO1 (0.47) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2293748 0.76 IDO1 (0.50) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2290933 0.76 IDO1 (0.50) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2287943 0.76 ALDH1A1 (0.57) IDO1ALDH1A1PARP10MAPTNPC1
SCHEMBL2292141 0.76 PARP10 (0.59) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL18171756 0.75 ALDH1A1 (0.66) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL1259945 0.74 PARP10 (0.62) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL9738684 0.73 IDO1 (0.40) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2292139 0.73 THRA (0.48) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2292273 0.73 ALDH1A1 (0.43) ALDH1A1MAPTNPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDO1 778/4885ALDH1A1 83/4885PARP10 167/4885

“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.