SCHEMBL2291235

SCHEMBL2291235

Cc1ccc(S(=O)(=O)Oc2cc(Br)c(COc3c(C)cccc3C)cc2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
GAA P10253 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.37
THRB P10828 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2287457 0.88 ALPL (0.44) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL2294508 0.85 THRA (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2295545 0.85 MEN1 (0.45) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL2292560 0.84 LMNA (0.41) KMT2AMEN1GAAESR1ESR2
SCHEMBL2295503 0.80 MEN1 (0.40) KMT2AMEN1GAAESR1ESR2
SCHEMBL2287492 0.80 THRA (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2293006 0.79 KMT2A (0.43) KMT2AMEN1GAAESR1ESR2
SCHEMBL2292756 0.76 MAPT (0.44) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL2292232 0.76 MEN1 (0.37) KMT2AMEN1GAAESR1ESR2
SCHEMBL2290246 0.75 MAPT (0.41) ESR1ESR2ALDH1A1MAPTLMNA

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 KMT2A 481/4885MEN1 186/4885GAA 3074/4885

“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.