SCHEMBL1639867

SCHEMBL1639867

COc1ccc(O)c(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 3/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
POLB P06746 1/20 0.50
GFER P55789 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
PTPN1 P18031 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.43
HSD17B3 P37058 1/20 0.43

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
SCHEMBL6938990 0.85 GFER (0.61) KMT2AMEN1GAAPOLBGFER
SCHEMBL6938287 0.85 GFER (0.54) KMT2AMEN1GAAGFERALDH1A1
SCHEMBL15442934 0.82 ALDH1A1 (0.51) KMT2AMEN1GAAESR1ESR2
SCHEMBL10492006 0.81 KMT2A (0.60) KMT2AMEN1GAAESR1ESR2
SCHEMBL9231994 0.78 MEN1 (0.68) KMT2AMEN1GAAESR1ESR2
SCHEMBL26326698 0.78 L3MBTL1 (0.71) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL9054847 0.78 HTT (0.54) KMT2AMEN1GAAESR1ESR2
SCHEMBL21436956 0.78 ALDH1A1 (0.45) KMT2AMEN1GAAGFERALDH1A1
SCHEMBL10413156 0.77 HTT (0.60) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL6938753 0.77 HTT (0.60) KMT2AMEN1GAAALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
US-7803960-B2 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US 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 (2 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-20110097269-A1 PHENYLOXYANILINE DERIVATIVES PNMT, PAH, NAT1 KMT2A 1024/4885MEN1 4239/4885GAA 288/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 KMT2A 1024/4885MEN1 4239/4885GAA 288/4885

“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.