SCHEMBL6681287

SCHEMBL6681287

CCOC(=O)c1cc(S(=O)(=O)c2ccc(OCCNCc3ccccc3)cc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
LTA4H P09960 2/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL6679489 0.87 CA1 (0.51) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6680446 0.85 KDM4E (0.48) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6679701 0.79 CA1 (0.51) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL6679275 0.79 DRD4 (0.79) DRD4KDM4EKMT2ALMNAPPARG
SCHEMBL6675966 0.78 CA1 (0.54) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6678367 0.78 SMN1; SMN2 (0.46) KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6805831 0.78 ADRB3 (0.53) ALOX15
Hydrochloric Acid SCHEMBL6805833 0.78 ADRB3 (0.53) ALOX15
SCHEMBL6681939 0.77 ADRB3 (0.38) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL6539474 0.76 SMN1; SMN2 (0.52) KDM4EALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 DRD4 714/4885KDM4E 994/4885ALDH1A1 168/4885

“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.