SCHEMBL2292346

SCHEMBL2292346

CC(C)c1ccc(Br)c(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
RNASEH1 O60930 1/20 0.34
HTR1D P28221 2/20 0.34
CRHR1 P34998 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TYR P14679 2/20 0.33
TSHR P16473 1/20 0.33
HTR1B P28222 1/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL27777944 0.86 LMNA (0.35) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL6118769 0.83 LMNA (0.36) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL6124194 0.83 TRPA1 (0.39) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL16400368 0.83 TRPV4 (0.32) KIF11
SCHEMBL6118031 0.80 CASR (0.40) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL22341564 0.79 CRHR1 (0.37) LMNAHTR1DCRHR1TYR
SCHEMBL605602 0.78 LMNA (0.39) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL29661836 0.77 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL6895537 0.77 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL22001037 0.76 CRHR1 (0.36) LMNATRPA1PTGS1CACNA1CGAA

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 LMNA 1225/4885TRPA1 3/4885PTGS1 787/4885

“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.