SCHEMBL635905

SCHEMBL635905

[CH2]c1ccccc1OC(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL232646 0.82 IRAK4 (0.47) IRAK4CA12CA1CA2CA4
SCHEMBL2122337 0.78 CA1 (0.39) IRAK4CA12CA1CA2CA4
SCHEMBL789856 0.78 KMT2A (0.36) IRAK4CA12CA1CA2CA4
SCHEMBL6495128 0.76 SCN4A (0.47) KMT2AADRA2BSLC6A2MAOASLC6A4
SCHEMBL2008418 0.76 CA1 (0.59) IRAK4CA12CA1CA2CA4
SCHEMBL6784911 0.75 ALDH1A1 (0.33) IRAK4CA12CA1CA2CA4
SCHEMBL2117568 0.75 MCHR1 (0.45) KMT2AALDH1A1PTGS1LMNAKDM4E
SCHEMBL19973199 0.74 TSHR (0.52) IRAK4CA12CA1CA2CA4
SCHEMBL7325155 0.74 CA1 (0.39) CA12CA1CA2CA4CA7
SCHEMBL17459933 0.74 ALDH1A1 (0.54) KMT2AALDH1A1TDP1GAASLC6A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US claimed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP claimed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO claimed
US-20120253038-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF SANDOZ AG (CH) 2012-10-04 US disclosed
EP-2419406-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF Sandoz AG (CH) 2012-02-22 EP disclosed
WO-2010118997-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF SANDOZ AG (CH) 2010-10-21 WO disclosed
US-20080207898-A1 PROCESSES FOR THE PREPARATION OF AMINOETHOXYBENZYL ALCOHOLS WYETH (US) 2008-08-28 US disclosed
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
US-7375251-B2 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2008-05-20 US disclosed
US-7375251-B2 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2008-05-20 US 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
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2006-07-13 US disclosed
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols WYETH (US) 2006-07-13 US disclosed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 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 (3 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 IRAK4 4751/4885CA12 3544/4885CA1 4260/4885
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols ADH1A, ADH1C, ADH5 IRAK4 4751/4885CA12 3544/4885CA1 4260/4885
US-20120253038-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF CYP19A1, HSD17B11, CYP2F1 IRAK4 4503/4885CA12 890/4885CA1 464/4885

“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.