SCHEMBL2294129

SCHEMBL2294129

CCCCc1ccc(CCCC)c(OCc2ccccc2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.50
ABCB1 P08183 4/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
FFAR1 O14842 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
IDO1 P14902 1/20 0.38
SKP2 Q13309 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 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
SCHEMBL2292592 0.89 FFAR4 (0.53) FFAR4ABCB1ALDH1A1NPC1MAPT
SCHEMBL2292356 0.89 FFAR4 (0.52) FFAR4ABCB1ALDH1A1NPC1MAPT
SCHEMBL2290602 0.86 ALDH1A1 (0.51) FFAR4ABCB1ALDH1A1NPC1MAPT
SCHEMBL2295145 0.81 THRA (0.42) FFAR4ALDH1A1NPC1MAPTHTT
SCHEMBL2292149 0.81 L3MBTL1 (0.41) ABCB1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2290437 0.80 FFAR4 (0.51) FFAR4ALDH1A1NPC1MAPTHTT
SCHEMBL2291397 0.80 FFAR4 (0.62) FFAR4FFAR1IDO1
SCHEMBL2291276 0.80 PPARA (0.48) FFAR4ABCB1FFAR1
SCHEMBL2290287 0.78 FFAR4 (0.55) FFAR4ABCB1ALDH1A1NPC1MAPT
SCHEMBL2295387 0.77 IDO1 (0.44) FFAR4ALDH1A1NPC1MAPTHTT

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 FFAR4 3092/4885ABCB1 2984/4885ALDH1A1 83/4885

“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.