SCHEMBL4986202

SCHEMBL4986202

CCCCCCNC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 1/20 0.49
FAAH O00519 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ACHE P22303 1/20 0.46

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
SCHEMBL2559464 0.99 TSHR (0.60) TSHRRECQLALDH1A1KDM4ECYP1A2
SCHEMBL6538501 0.94 TSHR (0.61) TSHRRECQLALDH1A1KDM4ECYP1A2
SCHEMBL2555132 0.89 ALDH1A1 (0.59) TSHRRECQLALDH1A1KDM4ECYP1A2
SCHEMBL7195953 0.85 TSHR (0.63) TSHRRECQLALDH1A1KDM4EMEN1
SCHEMBL7195903 0.85 TSHR (0.63) TSHRRECQLALDH1A1KDM4EMEN1
SCHEMBL2557379 0.84 ALDH1A1 (0.59) TSHRRECQLALDH1A1CYP1A2CYP2D6
SCHEMBL14112030 0.83 RECQL (0.77) TSHRRECQLKDM4ECYP1A2HPGD
SCHEMBL10599988 0.83 RECQL (0.77) TSHRRECQLKDM4ECYP1A2HPGD
SCHEMBL6538870 0.83 RAB9A (0.63) ALDH1A1KDM4ECYP1A2CYP2D6HPGD
SCHEMBL14407886 0.82 MEN1 (0.64) TSHRRECQLALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207898-A1 PROCESSES FOR THE PREPARATION OF AMINOETHOXYBENZYL ALCOHOLS WYETH (US) 2008-08-28 US disclosed
US-7375251-B2 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2008-05-20 US disclosed
EP-1836155-A2 PROCESSES FOR THE PREPARATION OF AMINOETHOXYBENZYL ALCOHOLS Wyeth, A Corporation of the State of Delaware (US) 2007-09-26 EP disclosed
WO-2006076350-A2 PROCESSES FOR THE PREPARATION OF AMINOETHOXYBENZYL ALCOHOLS WYETH (US) 2006-07-20 WO disclosed
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2006-07-13 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 (2 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-20080207898-A1 PROCESSES FOR THE PREPARATION OF AMINOETHOXYBENZYL ALCOHOLS ADH1A, ADH1C, ADH5 TSHR 3144/4885RECQL 4327/4885ALDH1A1 12/4885
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols ADH1A, ADH1C, ADH5 TSHR 3144/4885RECQL 4327/4885ALDH1A1 12/4885

“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.