SCHEMBL2294476

SCHEMBL2294476

CC(C)(C)c1cccc(OCc2ccccc2Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.55
PARP10 Q53GL7 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 1/20 0.43
IDO1 P14902 2/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 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
SCHEMBL13761596 0.83 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL2294503 0.83 PARP10 (0.55) PARP10LMNAPOLBL3MBTL1AR
SCHEMBL13761624 0.82 SOD1 (0.51) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL13761592 0.82 NR4A2 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL13439832 0.81 ABCB1 (0.52) SOD1PARP10HTTLMNAPOLB
SCHEMBL2290158 0.80 MAOB (0.54) PARP10POLBIDO1FFAR1FFAR4
SCHEMBL13439841 0.79 MAOB (0.55) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL20008392 0.79 ALDH1A1 (0.52) PARP10HTTLMNAL3MBTL1IDO1
SCHEMBL8592993 0.78 SOD1 (0.48) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL2286460 0.78 SOD1 (0.51) SOD1HTTLMNAPOLBL3MBTL1

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 SOD1 54/4885PARP10 167/4885HTT 1687/4885

“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.