SCHEMBL3289906

SCHEMBL3289906

COc1cc(CC(O)COS(=O)(=O)c2ccc(C)cc2)c(O)c2c1C1CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 8/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
KMT2A Q03164 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MEN1 O00255 4/20 0.32
LMNA P02545 2/20 0.32
STAT3 P40763 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL3289910 1.00 RAB9A (0.35) RAB9AALDH1A1GAAPOLBEGFR
SCHEMBL3296211 0.96 RAB9A (0.36) RAB9AALDH1A1GAAPOLBEGFR
SCHEMBL3292942 0.83 GAA (0.34) RAB9AALDH1A1GAAKMT2AMEN1
SCHEMBL3295031 0.79 EGFR (0.40) ALDH1A1GAAPOLBEGFRERBB2
SCHEMBL3290572 0.79 GAA (0.35) RAB9AALDH1A1GAAKMT2AMEN1
SCHEMBL4226270 0.73 POLB (0.47) RAB9AALDH1A1GAAPOLBKMT2A
SCHEMBL19730090 0.73 POLB (0.43) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL3294549 0.72 CYP2C19 (0.38) ALDH1A1KMT2AMEN1STAT3PKM
SCHEMBL15532647 0.71 POLB (0.43) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL15532646 0.71 POLB (0.43) ALDH1A1GAAPOLBSMN1; SMN2LMNA

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-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 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 (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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B RAB9A 1932/4885ALDH1A1 185/4885GAA 1680/4885

“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.