SCHEMBL2292269

SCHEMBL2292269

Fc1cc(F)c(OCc2ccccc2Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 4/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM1A O60341 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.39
ALPG P10696 1/20 0.39
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
AR P10275 1/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL30765137 0.81 PARP10 (0.62) IDO1ALDH1A1FFAR1FFAR4PARP10
SCHEMBL2291302 0.80 IDO1 (0.52) IDO1ALDH1A1FFAR1FFAR4PARP10
SCHEMBL2291098 0.80 ALDH1A1 (0.51) IDO1ALDH1A1FFAR1FFAR4MAPT
SCHEMBL2293569 0.76 ALDH1A1 (0.40) ALDH1A1FFAR1HTTSMN1; SMN2KDM1A
SCHEMBL2287943 0.75 ALDH1A1 (0.57) IDO1ALDH1A1PARP10MAPTHTT
SCHEMBL2292141 0.75 PARP10 (0.59) IDO1ALDH1A1FFAR1FFAR4PARP10
SCHEMBL30674665 0.75 KDM1A (0.56) MAPTSMN1; SMN2KDM1AMAOAMAOB
SCHEMBL3606076 0.75 KDM1A (0.56) MAPTSMN1; SMN2KDM1AMAOAMAOB
SCHEMBL2292139 0.72 THRA (0.48) IDO1ALDH1A1FFAR1FFAR4PARP10
SCHEMBL9738684 0.72 IDO1 (0.40) IDO1ALDH1A1FFAR1FFAR4PARP10

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 83/4885FFAR1 3643/4885

“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.