SCHEMBL6681941

SCHEMBL6681941

CCOC(=O)c1cc(S(=O)(=O)c2ccc(OCCN(Cc3ccccc3)C[C@@H](O)c3cccc(Cl)c3)cc2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H3 Q13133 2/20 0.37
TP53 P04637 1/20 0.37
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL6681944 1.00 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10MAOB
SCHEMBL6679253 0.90 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679254 0.90 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6676597 0.90 TP53 (0.47) ALDH1A1MAOBMEN1KMT2ANR1H3
SCHEMBL6803929 0.90 TP53 (0.47) ALDH1A1MAOBMEN1KMT2ANR1H3
SCHEMBL6679535 0.90 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6679540 0.90 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10TP53
SCHEMBL6805821 0.86 ADRB3 (0.40) ALDH1A1MEN1KMT2ATP53ADRB1
SCHEMBL6677881 0.85 MEN1 (0.43) ALDH1A1MAOBMEN1KMT2ANR1H3
SCHEMBL6677885 0.85 MEN1 (0.43) ALDH1A1MAOBMEN1KMT2ANR1H3

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 KDM4E 994/4885ALDH1A1 168/4885ALOX15 1165/4885

“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.