SCHEMBL3315816

SCHEMBL3315816

C/C=C/CC(CN)C/C=C/C=C/CCCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
FASN P49327 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 5/20 0.32
PPARG P37231 2/20 0.32
GPR132 Q9UNW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 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
SCHEMBL3315821 1.00 ALDH1A1 (0.36) ALDH1A1TSHRFASNTDP1FAAH
SCHEMBL23252803 0.77 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL5403194 0.77 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL3315818 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL28640772 0.74 TSHR (0.48) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL21044846 0.72 FASN (0.55) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL23943603 0.72
SCHEMBL10318388 0.72 ALDH1A1 (0.39) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL6058308 0.72 ALDH1A1 (0.43) ALDH1A1TSHRFASNTDP1PPARG
SCHEMBL28336472 0.71 ALDH1A1 (0.36) ALDH1A1TSHRFASNFAAHPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP claimed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US claimed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 WO claimed
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 ALDH1A1 185/4885TSHR 474/4885FASN 1878/4885

“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.