SCHEMBL3289625

SCHEMBL3289625

CC(C)(C)[Si](C)(C)OCC1Cc2ccc3ccccc3c2O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 16/20 0.42
NFKB2 Q00653 16/20 0.42
RELA Q04206 16/20 0.42
TOP2A P11388 1/20 0.38
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3291408 0.77 TOP2A (0.37) TOP2A
SCHEMBL3293061 0.77 TOP2A (0.37) TOP2A
SCHEMBL4230474 0.76 PRKAB2 (0.41) TOP2ACYP19A1KDM4EALDH1A1HPGD
SCHEMBL3290570 0.74 NFKB1 (0.48) NFKB1NFKB2RELACYP19A1
SCHEMBL3295022 0.74 NFKB1 (0.48) NFKB1NFKB2RELACYP19A1KDM4E
SCHEMBL30068254 0.73 TOP2A (0.32) TOP2A
SCHEMBL3294579 0.71 NFKB1 (0.42) NFKB1NFKB2RELAALDH1A1
SCHEMBL6081871 0.71 NFKB1 (0.36) NFKB1NFKB2RELATOP2AKDM4E
SCHEMBL20211424 0.70 TOP2A (0.45) TOP2A
SCHEMBL23533600 0.67 GLS (0.39) TOP2AALDH1A1

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 4 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
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B NFKB1 3154/4885NFKB2 3050/4885RELA 3860/4885

“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.