SCHEMBL2292139

SCHEMBL2292139

Cc1cc(C)c(OCc2ccccc2Br)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
IDO1 P14902 2/20 0.47
FFAR4 Q5NUL3 3/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
FFAR1 O14842 2/20 0.42
PARP10 Q53GL7 1/20 0.42
ANO1 Q5XXA6 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2290933 0.86 IDO1 (0.50) THRATHRBIDO1FFAR4MAPT
SCHEMBL2288552 0.80 FFAR4 (0.60) IDO1FFAR4MAPTL3MBTL1ALDH1A1
SCHEMBL30023195 0.80 FFAR4 (0.60) IDO1FFAR4MAPTL3MBTL1ALDH1A1
SCHEMBL12440959 0.80 MAPT (0.50) THRATHRBIDO1FFAR4MAPT
SCHEMBL12440961 0.80 MAPT (0.50) THRATHRBIDO1MAPTL3MBTL1
SCHEMBL1539415 0.79 THRA (0.42) THRATHRBFFAR4MAPTL3MBTL1
SCHEMBL12030992 0.79 IDO1 (0.47) THRATHRBIDO1FFAR4MAPT
SCHEMBL30000324 0.77 FFAR4 (0.50) IDO1FFAR4MAPTL3MBTL1ALDH1A1
SCHEMBL15249122 0.77 NPC1 (0.48) MAPTNPC1RAB9AHTTLMNA
SCHEMBL2290442 0.77 FFAR4 (0.50) IDO1FFAR4MAPTL3MBTL1ALDH1A1

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 THRA 3834/4885THRB 4314/4885IDO1 778/4885

“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.