SCHEMBL2289840

SCHEMBL2289840

Cc1cccc(C)c1OCc1cc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
SCN8A Q9UQD0 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PTGER4 P35408 3/20 0.32
PTGER3 P43115 3/20 0.32
PTGER2 P43116 3/20 0.32
DRD2 P14416 2/20 0.31

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
SCHEMBL2289128 0.87 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2MEN1POLB
SCHEMBL2288070 0.86 POLB (0.37) FFAR1FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2287492 0.83 THRA (0.38) FFAR1FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2292560 0.81 LMNA (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2295286 0.80 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1POLB
Benzene SCHEMBL2293259 0.77 PTPN1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1POLB
SCHEMBL2290946 0.77 CDK4 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1POLB
SCHEMBL2288081 0.76 ALPL (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2293180 0.76 SCN8A (0.35) FFAR1FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2292761 0.76 PTPN1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1POLB

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 FFAR1 3643/4885FFAR4 3092/4885ALDH1A1 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.