SCHEMBL4228784

SCHEMBL4228784

COc1ccc(OC)c(-c2cc(OC)cc3c2OC(COS(=O)(=O)c2ccc(C)cc2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 8/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 1/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
NR1I2 O75469 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4226280 0.92 MCOLN3 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4230048 0.91 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4234479 0.91 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4233775 0.88 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4225277 0.87 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4226600 0.86 AQP1 (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4235890 0.86 KMT2A (0.38) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL4235307 0.86 MAPT (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4220973 0.85 AQP1 (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4222464 0.85 MAPT (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A CYP3A4 241/4885CYP2C9 335/4885CYP2C19 268/4885

“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.