SCHEMBL3295019

SCHEMBL3295019

C=CCOc1ccc(Cl)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 7/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
PDE4B Q07343 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL25322559 0.81 GAA (0.54) GAATSHRKDM4EALDH1A1HPGD
SCHEMBL13777342 0.81 TSHR (0.58) GAATSHRKDM4EALDH1A1HPGD
SCHEMBL22215820 0.81 KDM4E (0.57) GAAKDM4EALDH1A1CYP2D6POLB
SCHEMBL23757425 0.81 KDM4E (0.64) GAATSHRKDM4EALDH1A1CYP2D6
SCHEMBL14363097 0.81 ACHE (0.59) GAAKDM4EALDH1A1CYP2D6POLB
SCHEMBL9545504 0.80 TSHR (0.61) GAATSHRALDH1A1HPGDNPC1
SCHEMBL16685038 0.80 GAA (0.57) GAATSHRALDH1A1CYP2D6HPGD
SCHEMBL6691655 0.80 GAA (0.61) GAATSHRKDM4EALDH1A1POLB
SCHEMBL27553510 0.80 TSHR (0.50) GAATSHRKDM4EALDH1A1CYP2D6
SCHEMBL15758311 0.79 KDM4E (0.56) GAAKDM4EALDH1A1CYP2D6POLB

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 GAA 1680/4885TSHR 474/4885KDM4E 2343/4885

“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.