SCHEMBL635906

SCHEMBL635906

NCCO[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
CYP19A1 P11511 3/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM2 O94759 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIF11 P52732 1/20 0.42
LTA4H P09960 2/20 0.41

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
SCHEMBL815747 0.77 MEN1 (0.39) KDM4EHPGDCYP3A4MEN1ALDH1A1
SCHEMBL790516 0.77 ALDH1A1 (0.46) CYP19A1ESR1ESR2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9443692 0.77 IDO1 (0.46) TAAR1CYP19A1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL9443690 0.77 IDO1 (0.46) TAAR1CYP19A1ESR1ESR2KDM4E
SCHEMBL2122339 0.76 MEN1 (0.44) KDM4EMAPK1MEN1ALDH1A1CYP1A2
SCHEMBL9798232 0.75 ALDH1A1 (0.39) KDM4EHPGDCYP3A4ALDH1A1TSHR
SCHEMBL3657712 0.74 KCNA3 (0.38) IDO1
SCHEMBL317685 0.74 LTA4H (0.47) KDM4EHPGDMEN1ALDH1A1CYP1A2
SCHEMBL8340935 0.72 RELA (0.40) KDM4EHPGDMEN1ALDH1A1CYP1A2
SCHEMBL662842 0.72 CYP19A1 (0.45) TAAR1CYP19A1ESR1ESR2KDM4E

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 TAAR1 307/4885CYP19A1 395/4885ESR1 4010/4885
US-20060155147-A1 Processes for the preparation of aminoethoxybenzyl alcohols ADH1A, ADH1C, ADH5 TAAR1 307/4885CYP19A1 395/4885ESR1 4010/4885
US-20120253038-A1 PROCESSES FOR THE SYNTHESIS OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF CYP19A1, HSD17B11, CYP2F1 TAAR1 1627/4885CYP19A1 1/4885ESR1 4/4885

“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.